[(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylidene]amino] 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylidene]amino] 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylene]amino] 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [(E)-[(1-methyl-2-pyridin-1-iumyl)-phenylmethylidene]amino] ester IUPAC Name: [(E)-[(1-methylpyridin-1-ium-2-yl)-phenylmethylidene]amino] 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [(E)-[(1-methylpyridin-1-ium-2-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=CC(=C1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=CC=[N+]3C

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)O/N=C(\C2=CC=CC=C2)/C3=CC=CC=[N+]3C

InChI

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