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

Systemtic Name: 4-[(4-ethanoylphenyl)amino]-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Openeye Name: 4-(4-acetylanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylammonio)butanoate CAS Name: 4-(4-acetylanilino)-4-oxo-2-(3-pyridin-1-iumylmethylammonio)butanoate IUPAC Name: 4-(4-acetylanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Traditional Name: 4-(4-acetylanilino)-4-keto-2-(pyridin-1-ium-3-ylmethylammonio)butyrate Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=C[NH+]=CC=C2

InChI

InChI=1S/C18H19N3O4/c1-12(22)14-4-6-15(7-5-14)21-17(23)9-16(18(24)25)20-11-13-3-2-8-19-10-13/h2-8,10,16,20H,9,11H2,1H3,(H,21,23)(H,24,25)/p+1