[(E)-[(1-methylpyridin-1-ium-4-yl)-phenyl-methylidene]amino] 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [(E)-[(1-methylpyridin-1-ium-4-yl)-phenyl-methylidene]amino] 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [(E)-[(1-methylpyridin-1-ium-4-yl)-phenyl-methylene]amino] 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [(E)-[(1-methyl-4-pyridin-1-iumyl)-phenylmethylidene]amino] ester IUPAC Name: [(E)-[(1-methylpyridin-1-ium-4-yl)-phenylmethylidene]amino] 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [(E)-[(1-methylpyridin-1-ium-4-yl)-phenyl-methylene]amino] ester Formula: C20H19N3O2+2 MolecularWeight: 333.38376

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(=NOC(=O)C2=C[N+](=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C(=N/OC(=O)C2=C[N+](=CC=C2)C)/C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O2/c1-22-13-10-17(11-14-22)19(16-7-4-3-5-8-16)21-25-20(24)18-9-6-12-23(2)15-18/h3-15H,1-2H3/q+2/b21-19+