N-(4-chlorophenyl)-2-[(2S)-3-oxidanylidene-4-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(4-chlorophenyl)-2-[(2S)-3-oxidanylidene-4-(phenylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[(2S)-4-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(4-chlorophenyl)acetamide CAS Name: N-(4-chlorophenyl)-2-[(2S)-3-oxo-4-(phenylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[(2S)-4-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(4-chlorophenyl)acetamide Traditional Name: 2-[(2S)-4-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(4-chlorophenyl)acetamide Formula: C19H21ClN3O2+ MolecularWeight: 358.84194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C([NH2+]1)CC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(=O)[C@@H]([NH2+]1)CC(=O)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3O2/c20-15-6-8-16(9-7-15)22-18(24)12-17-19(25)23(11-10-21-17)13-14-4-2-1-3-5-14/h1-9,17,21H,10-13H2,(H,22,24)/p+1/t17-/m0/s1