1-[[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-(4-benzhydrylpiperazin-4-ium-1-carbonyl)benzyl]-2-pyrrolidone Formula: C29H32N3O2+ MolecularWeight: 454.58328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=CC(=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c33-27-15-8-16-32(27)22-23-9-7-14-26(21-23)29(34)31-19-17-30(18-20-31)28(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-7,9-14,21,28H,8,15-20,22H2/p+1