[(3S)-1-methylpiperidin-1-ium-3-yl] 4-(dimethylsulfamoyl)benzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-(dimethylsulfamoyl)benzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-16(2)22(19,20)14-8-6-12(7-9-14)15(18)21-13-5-4-10-17(3)11-13/h6-9,13H,4-5,10-11H2,1-3H3/p+1/t13-/m0/s1