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

Systemtic Name: 1-(cyclohexen-1-ylmethyl)-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Openeye Name: 1-(cyclohexen-1-ylmethyl)-1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benzo[e]indol-3-ium CAS Name: 1-(1-cyclohexenylmethyl)-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium IUPAC Name: 1-(cyclohexen-1-ylmethyl)-1,3-dimethyl-2-[(E)-2-thiophen-2-ylethenyl]benzo[e]indol-3-ium Traditional Name: 1-(cyclohexen-1-ylmethyl)-1,3-dimethyl-2-[(E)-2-(2-thienyl)vinyl]benz[e]indol-3-ium Formula: C27H28NS+ MolecularWeight: 398.58292

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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=CCCCC5

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=CC=CS4)CC5=CCCCC5

InChI

InChI=1S/C27H28NS/c1-27(19-20-9-4-3-5-10-20)25(17-15-22-12-8-18-29-22)28(2)24-16-14-21-11-6-7-13-23(21)26(24)27/h6-9,11-18H,3-5,10,19H2,1-2H3/q+1/b17-15+