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

Systemtic Name: 1-[[3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[3-[oxo-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[3-(4-pyridin-1-ium-4-ylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[3-(4-pyridin-1-ium-4-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=CC(=C2)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

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

InChI

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