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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH2+]CCC2=C1)C(=O)[O-])OC

InChI

InChI=1S/C12H15NO4/c1-16-9-5-7-3-4-13-11(12(14)15)8(7)6-10(9)17-2/h5-6,11,13H,3-4H2,1-2H3,(H,14,15)/t11-/m0/s1