1-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]phenyl]-2-pyrrolidone Formula: C21H26N4O2+2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

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