1-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one CAS Name: 1-[3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one Traditional Name: 1-[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]-2-pyrrolidone Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c25-19-5-2-10-24(19)18-4-1-3-16(15-18)20(26)23-13-11-22(12-14-23)17-6-8-21-9-7-17/h1,3-4,6-9,15H,2,5,10-14H2/p+1