2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(1R)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-2-methoxy-phenoxy]acetate Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C([NH2+]CCC2=C1)C3=CC(=C(C=C3)OCC(=O)[O-])OC)OCC

Isomeric SMILES

CCOC1=C(C=C2[C@H]([NH2+]CCC2=C1)C3=CC(=C(C=C3)OCC(=O)[O-])OC)OCC

InChI

InChI=1S/C22H27NO6/c1-4-27-19-10-14-8-9-23-22(16(14)12-20(19)28-5-2)15-6-7-17(18(11-15)26-3)29-13-21(24)25/h6-7,10-12,22-23H,4-5,8-9,13H2,1-3H3,(H,24,25)/t22-/m1/s1