Chem
J-GLOBAL ID:200907000414798080
Nikkaji number:J2.625.686K
1,1′-(o-Xylylene)bis[4-[2-[4-(1-piperidinyl)phenyl]ethenyl]pyridinium]
1,1′-(o-キシリレン)ビス[4-[2-[4-(1-ピペリジニル)フェニル]エテニル]ピリジニウム]
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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:
C44 H48 N2 [N+]2
Molecular formula furigana:
C44-H48-N4
Molecular weight:
632.895
InChI:
InChI=1S/C44H48N4/c1-5-27-47(28-6-1)43-19-15-37(16-20-43)11-13-39-23-31-45(32-24-39)35-41-9-3-4-10-42(41)36-46-33-25-40(26-34-46)14-12-38-17-21-44(22-18-38)48-29-7-2-8-30-48/h3-4,9-26,31-34H,1-2,5-8,27-30,35-36H2/q+2
InChI key:
CDCBYOYUZPEYHB-UHFFFAOYSA-N
SMILES:
C(c1ccccc1C[n+]1ccc(C=Cc2ccc(cc2)N2CCCCC2)cc1)[n+]1ccc(C=Cc2ccc(cc2)N2CCCCC2)cc1
Systematic name (3):
1,1′-(o-キシリレン)ビス[4-[2-[4-(1-ピペリジニル)フェニル]エテニル]ピリジニウム]
4-{2-[4-(ピペリジン-1-イル)フェニル]エテニル}-1-({2-[(4-{2-[4-(ピペリジン-1-イル)フェニル]エテニル}ピリジン-1-イウム-1-イル)メチル]フェニル}メチル)ピリジン-1-イウム
4-{2-[4-(piperidin-1-yl)phenyl]ethenyl}-1-({2-[(4-{2-[4-(piperidin-1-yl)phenyl]ethenyl}pyridin-1-ium-1-yl)methyl]phenyl}methyl)pyridin-1-ium
Other name (1):
1,1′-(o-Xylylene)bis[4-[2-[4-(1-piperidinyl)phenyl]ethenyl]pyridinium]
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