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

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-1-[2-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H29F3N3O3S+ MolecularWeight: 448.52277

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H28F3N3O3S/c1-2-25-11-9-16(10-12-25)24-19(27)15-7-13-26(14-8-15)30(28,29)18-6-4-3-5-17(18)20(21,22)23/h3-6,15-16H,2,7-14H2,1H3,(H,24,27)/p+1