2-[(E,3Z)-3-(3-butyl-1,1-dimethyl-benzo[e]indol-2-ylidene)prop-1-enyl]-1,1-dimethyl-3-prop-2-enyl-benzo[e]indol-3-ium

Systemtic Name: 2-[(E,3Z)-3-(3-butyl-1,1-dimethyl-benzo[e]indol-2-ylidene)prop-1-enyl]-1,1-dimethyl-3-prop-2-enyl-benzo[e]indol-3-ium Openeye Name: (2Z)-2-[(E)-3-(3-allyl-1,1-dimethyl-benzo[e]indol-3-ium-2-yl)prop-2-enylidene]-3-butyl-1,1-dimethyl-benzo[e]indole CAS Name: 2-[(E,3Z)-3-(3-butyl-1,1-dimethyl-2-benzo[e]indolylidene)prop-1-enyl]-1,1-dimethyl-3-prop-2-enylbenzo[e]indol-3-ium IUPAC Name: 2-[(E,3Z)-3-(3-butyl-1,1-dimethylbenzo[e]indol-2-ylidene)prop-1-enyl]-1,1-dimethyl-3-prop-2-enylbenzo[e]indol-3-ium Traditional Name: (2Z)-2-[(E)-3-(3-allyl-1,1-dimethyl-benz[e]indol-3-ium-2-yl)prop-2-enylidene]-3-butyl-1,1-dimethyl-benz[e]indole Formula: C38H41N2+ MolecularWeight: 525.74554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C3=CC=CC=C3C=C2)C(C1=CC=CC4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CC=C)(C)C

Isomeric SMILES

CCCCN\1C2=C(C3=CC=CC=C3C=C2)C(/C1=C/C=C/C4=[N+](C5=C(C4(C)C)C6=CC=CC=C6C=C5)CC=C)(C)C

InChI

InChI=1S/C38H41N2/c1-7-9-26-40-32-24-22-28-16-11-13-18-30(28)36(32)38(5,6)34(40)20-14-19-33-37(3,4)35-29-17-12-10-15-27(29)21-23-31(35)39(33)25-8-2/h8,10-24H,2,7,9,25-26H2,1,3-6H3/q+1