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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)C[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

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