3,4-dimethoxy-N-piperidin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-piperidin-1-ium-4-yl-benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-piperidin-1-ium-4-yl-benzenesulfonamide CAS Name: 3,4-dimethoxy-N-(4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-piperidin-1-ium-4-ylbenzenesulfonamide Traditional Name: 3,4-dimethoxy-N-piperidin-1-ium-4-yl-benzenesulfonamide Formula: C13H21N2O4S+ MolecularWeight: 301.38184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH2+]CC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH2+]CC2)OC

InChI

InChI=1S/C13H20N2O4S/c1-18-12-4-3-11(9-13(12)19-2)20(16,17)15-10-5-7-14-8-6-10/h3-4,9-10,14-15H,5-8H2,1-2H3/p+1