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

Systemtic Name: 1-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[2-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[2-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-2-pyrrolidone Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H24N4O2/c26-20-6-3-11-25(20)19-5-2-1-4-18(19)21(27)24-14-12-23(13-15-24)16-17-7-9-22-10-8-17/h1-2,4-5,7-10H,3,6,11-16H2/p+1