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

Systemtic Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-propan-2-yl-4-piperidin-1-iumyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-propan-2-ylpiperidin-1-ium-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-isopropylpiperidin-1-ium-4-yl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C21H31F3N3O3S+ MolecularWeight: 462.54935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3O3S/c1-15(2)26-10-8-18(9-11-26)25-20(28)16-6-12-27(13-7-16)31(29,30)19-5-3-4-17(14-19)21(22,23)24/h3-5,14-16,18H,6-13H2,1-2H3,(H,25,28)/p+1