N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[4-[(3S)-3-methyl-1-piperidin-1-iumyl]butyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyl]-3-(trifluoromethyl)benzenesulfonamide Formula: C17H26F3N2O2S+ MolecularWeight: 379.46075

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCCCNS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H25F3N2O2S/c1-14-6-5-11-22(13-14)10-3-2-9-21-25(23,24)16-8-4-7-15(12-16)17(18,19)20/h4,7-8,12,14,21H,2-3,5-6,9-11,13H2,1H3/p+1/t14-/m0/s1