N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-isonipecotamide Formula: C20H29F3N3O4S+ MolecularWeight: 464.52217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCCC[NH+]2CCOCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H28F3N3O4S/c21-20(22,23)17-3-1-4-18(15-17)31(28,29)26-9-5-16(6-10-26)19(27)24-7-2-8-25-11-13-30-14-12-25/h1,3-4,15-16H,2,5-14H2,(H,24,27)/p+1