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

Systemtic Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-methyl-benzenesulfonamide Openeye Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-methyl-benzenesulfonamide CAS Name: N-[3-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-4-methoxy-3-methylbenzenesulfonamide IUPAC Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-methylbenzenesulfonamide Traditional Name: N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-4-methoxy-3-methyl-benzenesulfonamide Formula: C18H31N2O3S+ MolecularWeight: 355.51534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3S/c1-14-10-15(2)13-20(12-14)9-5-8-19-24(21,22)17-6-7-18(23-4)16(3)11-17/h6-7,11,14-15,19H,5,8-10,12-13H2,1-4H3/p+1/t14-,15+