5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide

Systemtic Name: 5-oxidanylidene-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide Openeye Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide CAS Name: 5-oxo-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-N-[3-(trifluoromethyl)phenyl]pentanamide IUPAC Name: 5-oxo-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide Traditional Name: 5-keto-5-(4-pyridin-1-ium-2-ylpiperazino)-N-[3-(trifluoromethyl)phenyl]valeramide Formula: C21H24F3N4O2+ MolecularWeight: 421.43607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N4O2/c22-21(23,24)16-5-3-6-17(15-16)26-19(29)8-4-9-20(30)28-13-11-27(12-14-28)18-7-1-2-10-25-18/h1-3,5-7,10,15H,4,8-9,11-14H2,(H,26,29)/p+1