(3R)-2-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: (3R)-2-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3R)-2-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3R)-2-(1-pyrrolidinylsulfonyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3R)-2-pyrrolidin-1-ylsulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3R)-2-pyrrolidinosulfonyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)[NH+]2CC3=CC=CC=C3CC2C(=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)[O-]

InChI

InChI=1S/C14H18N2O4S/c17-14(18)13-9-11-5-1-2-6-12(11)10-16(13)21(19,20)15-7-3-4-8-15/h1-2,5-6,13H,3-4,7-10H2,(H,17,18)/t13-/m1/s1