N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C22H33F3N3O3S+ MolecularWeight: 476.57593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)[NH+]3CCCCC3

InChI

InChI=1S/C22H32F3N3O3S/c1-21(2,27-11-4-3-5-12-27)16-26-20(29)17-9-13-28(14-10-17)32(30,31)19-8-6-7-18(15-19)22(23,24)25/h6-8,15,17H,3-5,9-14,16H2,1-2H3,(H,26,29)/p+1