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

Systemtic Name: 1,3-dimethyl-1-(pyridin-2-ylmethyl)-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Openeye Name: 1,3-dimethyl-1-(2-pyridylmethyl)-2-[(E)-2-(2-thienyl)vinyl]benzo[e]indol-3-ium CAS Name: 1,3-dimethyl-1-(2-pyridinylmethyl)-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium IUPAC Name: 1,3-dimethyl-1-(pyridin-2-ylmethyl)-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Traditional Name: 1,3-dimethyl-1-(2-pyridylmethyl)-2-[(E)-2-(2-thienyl)vinyl]benz[e]indol-3-ium Formula: C26H23N2S+ MolecularWeight: 395.53922

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC=CS4)CC5=CC=CC=N5

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=CC=CS4)CC5=CC=CC=N5

InChI

InChI=1S/C26H23N2S/c1-26(18-20-9-5-6-16-27-20)24(15-13-21-10-7-17-29-21)28(2)23-14-12-19-8-3-4-11-22(19)25(23)26/h3-17H,18H2,1-2H3/q+1/b15-13+