1-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)benzyl]-2-pyrrolidone Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22-7-4-12-26(22)18-20-8-10-21(11-9-20)23(28)25-15-13-24(14-16-25)17-19-5-2-1-3-6-19/h1-3,5-6,8-11H,4,7,12-18H2/p+1