N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-2-[[3-(trifluoromethyl)phenyl]thio]nicotinamide Formula: C21H25F3N3OS+ MolecularWeight: 424.50291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3OS/c1-14(2)27-11-8-16(9-12-27)26-19(28)18-7-4-10-25-20(18)29-17-6-3-5-15(13-17)21(22,23)24/h3-7,10,13-14,16H,8-9,11-12H2,1-2H3,(H,26,28)/p+1