4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C20H22F3N4O2+ MolecularWeight: 407.40949

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N4O2/c21-20(22,23)15-4-3-5-16(14-15)25-18(28)7-8-19(29)27-12-10-26(11-13-27)17-6-1-2-9-24-17/h1-6,9,14H,7-8,10-13H2,(H,25,28)/p+1