1-[5-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[5-chloranyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-chloro-phenyl]pyrrolidin-2-one CAS Name: 1-[5-chloro-2-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-chlorophenyl]pyrrolidin-2-one Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-carbonyl)-5-chloro-phenyl]-2-pyrrolidone Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)Cl)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

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