Chem
J-GLOBAL ID：201407054052894657
Nikkaji number：J3.303.243I
2-[2-[1-(8-Benzyl-1,4,8,11-tetraazacyclotetradecane-1-ylmethyl)-6,7-dihydro-3-hydroxy-8H-xanthene-5-yl]ethenyl]-3,3-dimethyl-1-propyl-3H-indole-1-ium
2-[2-[1-(8-ベンジル-1,4,8,11-テトラアザシクロテトラデカン-1-イルメチル)-6,7-ジヒドロ-3-ヒドロキシ-8H-キサンテン-5-イル]エテニル]-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C46H60N4[N+]O2
Molecular formula furigana： C46-H60-N5-O2
Molecular weight： 715.018
InChI：
InChI=1S/C46H59N5O2/c1-4-25-51-42-18-9-8-17-41(42)46(2,3)44(51)20-19-36-15-10-16-37-31-40-38(30-39(52)32-43(40)53-45(36)37)34-50-27-12-22-47-23-28-49(26-11-21-48-24-29-50)33-35-13-6-5-7-14-35/h5-9,13-14,17-20,30-32,47-48H,4,10-12,15-16,21-29,33-34H2,1-3H3/p+1
InChI key：
SAHGBVFOVVOUON-UHFFFAOYSA-O
SMILES：
CCC[N+]1=C(C=CC2=C3Oc4cc(O)cc(CN5CCCNCCN(Cc6ccccc6)CCCNCC5)c4C=C3CCC2)C(C)(C)c2ccccc12
Systematic name (4)：
- 2-[2-[1-[(8-ベンジル-1,4,8,11-テトラアザシクロテトラデカン-1-イル)メチル]-3-ヒドロキシ-7,8-ジヒドロ-6H-キサンテン-5-イル]エテニル]-1-プロピル-3,3-ジメチル-3H-インドール-1-イウム
- 2-[2-[1-(8-ベンジル-1,4,8,11-テトラアザシクロテトラデカン-1-イルメチル)-6,7-ジヒドロ-3-ヒドロキシ-8H-キサンテン-5-イル]エテニル]-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
- 2-(2-{8-[(8-ベンジル-1,4,8,11-テトラアザシクロテトラデカン-1-イル)メチル]-6-ヒドロキシ-2,3-ジヒドロ-1H-キサンテン-4-イル}エテニル)-3,3-ジメチル-1-プロピル-3H-インドール-1-イウム
- 2-(2-{8-[(8-benzyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl]-6-hydroxy-2,3-dihydro-1H-xanthen-4-yl}ethenyl)-3,3-dimethyl-1-propyl-3H-indol-1-ium
- 2-[2-[1-[(8-Benzyl-1,4,8,11-tetraazacyclotetradecane-1-yl)methyl]-3-hydroxy-7,8-dihydro-6H-xanthene-5-yl]ethenyl]-1-propyl-3,3-dimethyl-3H-indole-1-ium
- 2-[2-[1-(8-Benzyl-1,4,8,11-tetraazacyclotetradecane-1-ylmethyl)-6,7-dihydro-3-hydroxy-8H-xanthene-5-yl]ethenyl]-3,3-dimethyl-1-propyl-3H-indole-1-ium
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