(2S)-4-(4-chlorophenyl)-2-(3-imidazol-1-ylpropylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-(4-chlorophenyl)-2-(3-imidazol-1-ylpropylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(4-chlorophenyl)-2-(3-imidazol-1-ylpropylammonio)-4-oxo-butanoate CAS Name: (2S)-4-(4-chlorophenyl)-2-[3-(1-imidazolyl)propylammonio]-4-oxobutanoate IUPAC Name: (2S)-4-(4-chlorophenyl)-2-(3-imidazol-1-ylpropylazaniumyl)-4-oxobutanoate Traditional Name: (2S)-4-(4-chlorophenyl)-2-(3-imidazol-1-ylpropylammonio)-4-keto-butyrate Formula: C16H18ClN3O3 MolecularWeight: 335.78542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)[O-])[NH2+]CCCN2C=CN=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)C[C@@H](C(=O)[O-])[NH2+]CCCN2C=CN=C2)Cl

InChI

InChI=1S/C16H18ClN3O3/c17-13-4-2-12(3-5-13)15(21)10-14(16(22)23)19-6-1-8-20-9-7-18-11-20/h2-5,7,9,11,14,19H,1,6,8,10H2,(H,22,23)/t14-/m0/s1