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

Systemtic Name: (3S)-2-(diethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3S)-2-(diethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-2-(diethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3S)-2-(diethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-2-(diethylsulfamoyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4S/c1-3-15(4-2)21(19,20)16-10-12-8-6-5-7-11(12)9-13(16)14(17)18/h5-8,13H,3-4,9-10H2,1-2H3,(H,17,18)/t13-/m0/s1