N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C20H24F3N2O2S+ MolecularWeight: 413.47697

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CNS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H23F3N2O2S/c21-20(22,23)18-6-8-19(9-7-18)28(26,27)24-14-16-10-12-25(13-11-16)15-17-4-2-1-3-5-17/h1-9,16,24H,10-15H2/p+1