(2Z)-2-(phenylmethylidene)-7-pyridin-1-ium-1-yl-3,4,5,6-tetrahydroazepine

Systemtic Name: (2Z)-2-(phenylmethylidene)-7-pyridin-1-ium-1-yl-3,4,5,6-tetrahydroazepine Openeye Name: (2Z)-2-benzylidene-7-pyridin-1-ium-1-yl-3,4,5,6-tetrahydroazepine CAS Name: (2Z)-2-(phenylmethylene)-7-(1-pyridin-1-iumyl)-3,4,5,6-tetrahydroazepine IUPAC Name: (2Z)-2-benzylidene-7-pyridin-1-ium-1-yl-3,4,5,6-tetrahydroazepine Traditional Name: (2Z)-2-benzal-7-pyridin-1-ium-1-yl-3,4,5,6-tetrahydroazepine Formula: C18H19N2+ MolecularWeight: 263.35686

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NC(=CC2=CC=CC=C2)C1)[N+]3=CC=CC=C3

Isomeric SMILES

C1CCC(=N/C(=C\C2=CC=CC=C2)/C1)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H19N2/c1-3-9-16(10-4-1)15-17-11-5-6-12-18(19-17)20-13-7-2-8-14-20/h1-4,7-10,13-15H,5-6,11-12H2/q+1/b17-15-