N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(trifluoromethyl)benzenesulfonamide Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1NS(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C19H21F3N2O2S/c20-19(21,22)16-7-4-8-18(13-16)27(25,26)23-17-9-11-24(12-10-17)14-15-5-2-1-3-6-15/h1-8,13,17,23H,9-12,14H2/p+1