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

Systemtic Name: N-[1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methyl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide CAS Name: N-[1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-2-methylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-2-methylpropan-2-yl]benzenesulfonamide Traditional Name: N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1,1-dimethyl-ethyl]benzenesulfonamide Formula: C17H29N2O2S+ MolecularWeight: 325.48936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2S/c1-14-10-15(2)12-19(11-14)13-17(3,4)18-22(20,21)16-8-6-5-7-9-16/h5-9,14-15,18H,10-13H2,1-4H3/p+1/t14-,15-/m0/s1