(Z)-[3-(4-methylphenyl)-2-oxidanylidene-5-pyridin-1-ium-1-yl-imidazol-4-ylidene]methanolate

Systemtic Name: (Z)-[3-(4-methylphenyl)-2-oxidanylidene-5-pyridin-1-ium-1-yl-imidazol-4-ylidene]methanolate Openeye Name: (Z)-[2-oxo-3-(p-tolyl)-5-pyridin-1-ium-1-yl-imidazol-4-ylidene]methanolate CAS Name: (Z)-[3-(4-methylphenyl)-2-oxo-5-(1-pyridin-1-iumyl)-4-imidazolylidene]methanolate IUPAC Name: (Z)-[3-(4-methylphenyl)-2-oxo-5-pyridin-1-ium-1-ylimidazol-4-ylidene]methanolate Traditional Name: (Z)-[2-keto-3-(p-tolyl)-5-pyridin-1-ium-1-yl-3-imidazolin-4-ylidene]methanolate Formula: C16H13N3O2 MolecularWeight: 279.29332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C[O-])C(=NC2=O)[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)N2/C(=C\[O-])/C(=NC2=O)[N+]3=CC=CC=C3

InChI

InChI=1S/C16H13N3O2/c1-12-5-7-13(8-6-12)19-14(11-20)15(17-16(19)21)18-9-3-2-4-10-18/h2-11H,1H3