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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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