2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanoate Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetate Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-17-11-5-9-3-4-14(8-13(15)16)7-10(9)6-12(11)18-2/h5-6H,3-4,7-8H2,1-2H3,(H,15,16)