(3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-(2-methoxy-5-methylphenyl)-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-(2-methoxy-5-methylphenyl)piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-3-sulfonamide Formula: C13H21N2O3S+ MolecularWeight: 285.38244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NS(=O)(=O)C2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NS(=O)(=O)[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C13H20N2O3S/c1-10-5-6-13(18-2)12(8-10)15-19(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