1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenyl]pyrrolidin-2-one Openeye Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenyl]-2-pyrrolidone Formula: C21H22F3N4O2+ MolecularWeight: 419.42019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N4O2/c22-21(23,24)16-5-8-18(25-14-16)26-10-12-27(13-11-26)20(30)15-3-6-17(7-4-15)28-9-1-2-19(28)29/h3-8,14H,1-2,9-13H2/p+1