(2R)-4-[(3-chlorophenyl)amino]-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-4-(3-chloroanilino)-2-(2-morpholin-4-ium-4-ylethylammonio)-4-oxo-butanoate CAS Name: (2R)-4-(3-chloroanilino)-2-[2-(4-morpholin-4-iumyl)ethylammonio]-4-oxobutanoate IUPAC Name: (2R)-4-(3-chloroanilino)-2-(2-morpholin-4-ium-4-ylethylazaniumyl)-4-oxobutanoate Traditional Name: (2R)-4-(3-chloroanilino)-4-keto-2-(2-morpholin-4-ium-4-ylethylammonio)butyrate Formula: C16H23ClN3O4+ MolecularWeight: 356.82452

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H22ClN3O4/c17-12-2-1-3-13(10-12)19-15(21)11-14(16(22)23)18-4-5-20-6-8-24-9-7-20/h1-3,10,14,18H,4-9,11H2,(H,19,21)(H,22,23)/p+1/t14-/m1/s1