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

Systemtic Name: 1-[[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c27-21-2-1-11-26(21)17-18-3-5-20(6-4-18)22(28)25-14-12-24(13-15-25)16-19-7-9-23-10-8-19/h3-10H,1-2,11-17H2/p+1