(3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: (3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-2-(dimethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)[NH+]1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)[NH+]1CC2=CC=CC=C2C[C@H]1C(=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c1-13(2)19(17,18)14-8-10-6-4-3-5-9(10)7-11(14)12(15)16/h3-6,11H,7-8H2,1-2H3,(H,15,16)/t11-/m0/s1