(2S)-4-[(2-chlorophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2S)-4-[(2-chlorophenyl)amino]-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxidanylidene-butanoate Openeye Name: (2S)-4-(2-chloroanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxo-butanoate CAS Name: (2S)-4-(2-chloroanilino)-2-(4-methyl-1-piperazine-1,4-diiumyl)-4-oxobutanoate IUPAC Name: (2S)-4-(2-chloroanilino)-2-(4-methylpiperazine-1,4-diium-1-yl)-4-oxobutanoate Traditional Name: (2S)-4-(2-chloroanilino)-4-keto-2-(4-methylpiperazine-1,4-diium-1-yl)butyrate Formula: C15H21ClN3O3+ MolecularWeight: 326.79854

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CC(=O)NC2=CC=CC=C2Cl)C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@@H](CC(=O)NC2=CC=CC=C2Cl)C(=O)[O-]

InChI

InChI=1S/C15H20ClN3O3/c1-18-6-8-19(9-7-18)13(15(21)22)10-14(20)17-12-5-3-2-4-11(12)16/h2-5,13H,6-10H2,1H3,(H,17,20)(H,21,22)/p+1/t13-/m0/s1