(2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-chloranyl-4-methyl-phenyl)amino]-4-oxidanylidene-2-(pyridin-2-ylmethylazaniumyl)butanoate Openeye Name: (2R)-4-(3-chloro-4-methyl-anilino)-4-oxo-2-(2-pyridylmethylammonio)butanoate CAS Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(2-pyridinylmethylammonio)butanoate IUPAC Name: (2R)-4-(3-chloro-4-methylanilino)-4-oxo-2-(pyridin-2-ylmethylazaniumyl)butanoate Traditional Name: (2R)-4-(3-chloro-4-methyl-anilino)-4-keto-2-(2-pyridylmethylammonio)butyrate Formula: C17H18ClN3O3 MolecularWeight: 347.79612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC(C(=O)[O-])[NH2+]CC2=CC=CC=N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H](C(=O)[O-])[NH2+]CC2=CC=CC=N2)Cl

InChI

InChI=1S/C17H18ClN3O3/c1-11-5-6-12(8-14(11)18)21-16(22)9-15(17(23)24)20-10-13-4-2-3-7-19-13/h2-8,15,20H,9-10H2,1H3,(H,21,22)(H,23,24)/t15-/m1/s1