N-[(E)-2-(1-butyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline

Systemtic Name: N-[(E)-2-(1-butyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)ethenyl]aniline Openeye Name: N-[(E)-2-(1-butyl-3,3-dimethyl-benzo[e]indol-3-ium-2-yl)vinyl]aniline CAS Name: N-[(E)-2-(1-butyl-3,3-dimethyl-2-benzo[e]indol-3-iumyl)ethenyl]aniline IUPAC Name: N-[(E)-2-(1-butyl-3,3-dimethylbenzo[e]indol-3-ium-2-yl)ethenyl]aniline Traditional Name: [(E)-2-(1-butyl-3,3-dimethyl-benz[e]indol-3-ium-2-yl)vinyl]-phenyl-amine Formula: C26H29N2+ MolecularWeight: 369.52186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)C=CNC4=CC=CC=C4

Isomeric SMILES

CCCCC1=C([N+](C2=C1C3=CC=CC=C3C=C2)(C)C)/C=C/NC4=CC=CC=C4

InChI

InChI=1S/C26H29N2/c1-4-5-14-23-24(18-19-27-21-12-7-6-8-13-21)28(2,3)25-17-16-20-11-9-10-15-22(20)26(23)25/h6-13,15-19,27H,4-5,14H2,1-3H3/q+1/b19-18+