(4S)-1-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one

Systemtic Name: (4S)-1-(4-chlorophenyl)-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrrolidin-2-one Openeye Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one CAS Name: (4S)-1-(4-chlorophenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-pyrrolidinone IUPAC Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)pyrrolidin-2-one Traditional Name: (4S)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-(4-chlorophenyl)-2-pyrrolidone Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3CC(=O)N(C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)[C@H]3CC(=O)N(C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c23-19-6-8-20(9-7-19)26-16-18(14-21(26)27)22(28)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,18H,10-16H2/p+1/t18-/m0/s1