(1R)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate

Systemtic Name: (1R)-7-methoxy-1-methyl-6-oxidanyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Openeye Name: (1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate CAS Name: (1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate IUPAC Name: (1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Traditional Name: (1R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydro-2H-isoquinolin-2-ium-1-carboxylate Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC(=C(C=C2CC[NH2+]1)O)OC)C(=O)[O-]

Isomeric SMILES

C[C@@]1(C2=CC(=C(C=C2CC[NH2+]1)O)OC)C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-12(11(15)16)8-6-10(17-2)9(14)5-7(8)3-4-13-12/h5-6,13-14H,3-4H2,1-2H3,(H,15,16)/t12-/m1/s1