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

Systemtic Name: 1,3-dimethyl-1-(phenylmethyl)-2-[(E)-2-pyridin-2-ylethenyl]benzo[e]indol-3-ium Openeye Name: 1-benzyl-1,3-dimethyl-2-[(E)-2-(2-pyridyl)vinyl]benzo[e]indol-3-ium CAS Name: 1,3-dimethyl-1-(phenylmethyl)-2-[(E)-2-(2-pyridinyl)ethenyl]benzo[e]indol-3-ium IUPAC Name: 1-benzyl-1,3-dimethyl-2-[(E)-2-pyridin-2-ylethenyl]benzo[e]indol-3-ium Traditional Name: 1-benzyl-1,3-dimethyl-2-[(E)-2-(2-pyridyl)vinyl]benz[e]indol-3-ium Formula: C28H25N2+ MolecularWeight: 389.5115

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)/C=C/C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C28H25N2/c1-28(20-21-10-4-3-5-11-21)26(18-16-23-13-8-9-19-29-23)30(2)25-17-15-22-12-6-7-14-24(22)27(25)28/h3-19H,20H2,1-2H3/q+1/b18-16+