4-chloranyl-N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[1-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-2-methylpropan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[1-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C17H28ClN2O2S+ MolecularWeight: 359.93442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC(C)(C)NS(=O)(=O)C2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C17H27ClN2O2S/c1-13-9-14(2)11-20(10-13)12-17(3,4)19-23(21,22)16-7-5-15(18)6-8-16/h5-8,13-14,19H,9-12H2,1-4H3/p+1/t13-,14-/m1/s1