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

Systemtic Name: 4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Openeye Name: 4-(3-chloroanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylammonio)butanoate CAS Name: 4-(3-chloroanilino)-4-oxo-2-(3-pyridin-1-iumylmethylammonio)butanoate IUPAC Name: 4-(3-chloroanilino)-4-oxo-2-(pyridin-1-ium-3-ylmethylazaniumyl)butanoate Traditional Name: 4-(3-chloroanilino)-4-keto-2-(pyridin-1-ium-3-ylmethylammonio)butyrate Formula: C16H17ClN3O3+ MolecularWeight: 334.77748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O3/c17-12-4-1-5-13(7-12)20-15(21)8-14(16(22)23)19-10-11-3-2-6-18-9-11/h1-7,9,14,19H,8,10H2,(H,20,21)(H,22,23)/p+1