[(3R)-1-methylpiperidin-1-ium-3-yl] 4-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 4-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 4-[methyl(phenyl)sulfamoyl]benzoic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C20H25N2O4S+ MolecularWeight: 389.4885

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC[C@H](C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S/c1-21-14-6-9-18(15-21)26-20(23)16-10-12-19(13-11-16)27(24,25)22(2)17-7-4-3-5-8-17/h3-5,7-8,10-13,18H,6,9,14-15H2,1-2H3/p+1/t18-/m1/s1