(2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate Openeye Name: (2R)-4-(3-chloroanilino)-4-oxo-2-(2-piperazine-1,4-diium-1-ylethylammonio)butanoate CAS Name: (2R)-4-(3-chloroanilino)-4-oxo-2-[2-(1-piperazine-1,4-diiumyl)ethylammonio]butanoate IUPAC Name: (2R)-4-(3-chloroanilino)-4-oxo-2-(2-piperazine-1,4-diium-1-ylethylazaniumyl)butanoate Traditional Name: (2R)-4-(3-chloroanilino)-4-keto-2-(2-piperazine-1,4-diium-1-ylethylammonio)butyrate Formula: C16H25ClN4O3+2 MolecularWeight: 356.8477

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC[NH2+]C(CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC[NH2+][C@H](CC(=O)NC2=CC(=CC=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C16H23ClN4O3/c17-12-2-1-3-13(10-12)20-15(22)11-14(16(23)24)19-6-9-21-7-4-18-5-8-21/h1-3,10,14,18-19H,4-9,11H2,(H,20,22)(H,23,24)/p+2/t14-/m1/s1