(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate

Systemtic Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Openeye Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate CAS Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Traditional Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH2+]C(CC2=C1)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C[NH2+][C@@H](CC2=C1)C(=O)[O-])OC

InChI

InChI=1S/C12H15NO4/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2/h4-5,9,13H,3,6H2,1-2H3,(H,14,15)/t9-/m0/s1