3-butyl-1,1-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzo[e]indol-3-ium

Systemtic Name: 3-butyl-1,1-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzo[e]indol-3-ium Openeye Name: 3-butyl-1,1-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)vinyl]benzo[e]indol-3-ium CAS Name: 3-butyl-1,1-dimethyl-2-[(E)-2-[4-(1-pyrrolidinyl)phenyl]ethenyl]benzo[e]indol-3-ium IUPAC Name: 3-butyl-1,1-dimethyl-2-[(E)-2-(4-pyrrolidin-1-ylphenyl)ethenyl]benzo[e]indol-3-ium Traditional Name: 3-butyl-1,1-dimethyl-2-[(E)-2-(4-pyrrolidinophenyl)vinyl]benz[e]indol-3-ium Formula: C30H35N2+ MolecularWeight: 423.6123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C=CC4=CC=C(C=C4)N5CCCC5

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)/C=C/C4=CC=C(C=C4)N5CCCC5

InChI

InChI=1S/C30H35N2/c1-4-5-22-32-27-18-15-24-10-6-7-11-26(24)29(27)30(2,3)28(32)19-14-23-12-16-25(17-13-23)31-20-8-9-21-31/h6-7,10-19H,4-5,8-9,20-22H2,1-3H3/q+1