(3S)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-(3,4-dimethoxyphenyl)-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(3,4-dimethoxyphenyl)piperidin-1-ium-3-sulfonamide Formula: C13H21N2O4S+ MolecularWeight: 301.38184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2CCC[NH2+]C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)[C@H]2CCC[NH2+]C2)OC

InChI

InChI=1S/C13H20N2O4S/c1-18-12-6-5-10(8-13(12)19-2)15-20(16,17)11-4-3-7-14-9-11/h5-6,8,11,14-15H,3-4,7,9H2,1-2H3/p+1/t11-/m0/s1