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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=[NH+]2

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=[NH+]2

InChI

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