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

Systemtic Name: ethyl (1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-carboxylate Openeye Name: ethyl (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-carboxylic acid ethyl ester IUPAC Name: ethyl (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-carboxylic acid ethyl ester Formula: C14H20NO4+ MolecularWeight: 266.3129

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C2=CC(=C(C=C2CC[NH2+]1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO4/c1-4-19-14(16)13-10-8-12(18-3)11(17-2)7-9(10)5-6-15-13/h7-8,13,15H,4-6H2,1-3H3/p+1/t13-/m0/s1