2-[1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium-1-yl]ethanenitrile

Systemtic Name: 2-[1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium-1-yl]ethanenitrile Openeye Name: 2-[1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benzo[e]indol-3-ium-1-yl]acetonitrile CAS Name: 2-[1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]-1-benzo[e]indol-3-iumyl]acetonitrile IUPAC Name: 2-[1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium-1-yl]acetonitrile Traditional Name: 2-[1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benz[e]indol-3-ium-1-yl]acetonitrile Formula: C22H19N2S+ MolecularWeight: 343.46466

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC=CS4)CC#N

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=CC=CS4)CC#N

InChI

InChI=1S/C22H19N2S/c1-22(13-14-23)20(12-10-17-7-5-15-25-17)24(2)19-11-9-16-6-3-4-8-18(16)21(19)22/h3-12,15H,13H2,1-2H3/q+1/b12-10+