1-[5-chloranyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]pyrrolidin-2-one

Systemtic Name: 1-[5-chloranyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-phenyl]pyrrolidin-2-one Openeye Name: 1-[5-chloro-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one CAS Name: 1-[5-chloro-2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[5-chloro-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]pyrrolidin-2-one Traditional Name: 1-[5-chloro-2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl]-2-pyrrolidone Formula: C20H22ClN4O2+ MolecularWeight: 385.86728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2/c21-15-6-7-16(17(14-15)25-9-3-5-19(25)26)20(27)24-12-10-23(11-13-24)18-4-1-2-8-22-18/h1-2,4,6-8,14H,3,5,9-13H2/p+1