N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[3-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-3,4-dimethoxy-benzenesulfonamide Formula: C18H31N2O4S+ MolecularWeight: 371.51474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-14-10-15(2)13-20(12-14)9-5-8-19-25(21,22)16-6-7-17(23-3)18(11-16)24-4/h6-7,11,14-15,19H,5,8-10,12-13H2,1-4H3/p+1/t14-,15+