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

Systemtic Name: (3S)-2-azanidylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3S)-2-azanidylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-2-azanidylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3S)-2-azanidylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-2-amidylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C10H11N2O4S- MolecularWeight: 255.27034

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)S(=O)(=O)[NH-])C(=O)[O-]

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)S(=O)(=O)[NH-])C(=O)[O-]

InChI

InChI=1S/C10H12N2O4S/c11-17(15,16)12-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5-6H2,(H3,11,13,14,15,16)/p-1/t9-/m0/s1