4-[(2-methoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate

Systemtic Name: 4-[(2-methoxyphenyl)amino]-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Openeye Name: 4-(2-methoxyanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylammonio)butanoate CAS Name: 4-(2-methoxyanilino)-4-oxo-2-(3-pyridin-1-iumylmethylammonio)butanoate IUPAC Name: 4-(2-methoxyanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Traditional Name: 4-keto-4-(o-anisidino)-2-(pyridin-1-ium-3-ylmethylammonio)butyrate Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

InChI

InChI=1S/C17H19N3O4/c1-24-15-7-3-2-6-13(15)20-16(21)9-14(17(22)23)19-11-12-5-4-8-18-10-12/h2-8,10,14,19H,9,11H2,1H3,(H,20,21)(H,22,23)/p+1