Chem
J-GLOBAL ID:201207052926095663
Nikkaji number:J3.002.906B
1-(3-Hydroxypropyl)-2-[5-[1-(3-hydroxypropyl)-3,3-dimethyl-2,3-dihydro-1H-indole-2-ylidene]-1,3-pentadiene-1-yl]-3,3-dimethyl-3H-indolium
1-(3-ヒドロキシプロピル)-2-[5-[1-(3-ヒドロキシプロピル)-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イリデン]-1,3-ペンタジエン-1-イル]-3,3-ジメチル-3H-インドリウム
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Substance type:
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
Molecular formula:
C31 H39 N[N+]O2
Molecular formula furigana:
C31-H39-N2-O2
Molecular weight:
471.664
InChI:
InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1
InChI key:
VFBDPICHYNKCQJ-UHFFFAOYSA-N
SMILES:
CC1(C)C(=CC=CC=CC2=[N+](CCCO)c3ccccc3C2(C)C)N(CCCO)c2ccccc12
Systematic name (3):
1-(3-ヒドロキシプロピル)-2-[5-[1-(3-ヒドロキシプロピル)-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イリデン]-1,3-ペンタジエン-1-イル]-3,3-ジメチル-3H-インドリウム
1-(3-ヒドロキシプロピル)-2-{5-[1-(3-ヒドロキシプロピル)-3,3-ジメチル-2,3-ジヒドロ-1H-インドール-2-イリデン]ペンタ-1,3-ジエン-1-イル}-3,3-ジメチル-3H-インドール-1-イウム
1-(3-hydroxypropyl)-2-{5-[1-(3-hydroxypropyl)-3,3-dimethyl-2,3-dihydro-1H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indol-1-ium
Other name (1):
1-(3-Hydroxypropyl)-2-[5-[1-(3-hydroxypropyl)-3,3-dimethyl-2,3-dihydro-1H-indole-2-ylidene]-1,3-pentadiene-1-yl]-3,3-dimethyl-3H-indolium
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