(2S)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate

Systemtic Name: (2S)-4-[(3,4-dichlorophenyl)amino]-4-oxidanylidene-2-(pyridin-3-ylmethylazaniumyl)butanoate Openeye Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(3-pyridylmethylammonio)butanoate CAS Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(3-pyridinylmethylammonio)butanoate IUPAC Name: (2S)-4-(3,4-dichloroanilino)-4-oxo-2-(pyridin-3-ylmethylazaniumyl)butanoate Traditional Name: (2S)-4-(3,4-dichloroanilino)-4-keto-2-(3-pyridylmethylammonio)butyrate Formula: C16H15Cl2N3O3 MolecularWeight: 368.2146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CN=C1)C[NH2+][C@@H](CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H15Cl2N3O3/c17-12-4-3-11(6-13(12)18)21-15(22)7-14(16(23)24)20-9-10-2-1-5-19-8-10/h1-6,8,14,20H,7,9H2,(H,21,22)(H,23,24)/t14-/m0/s1