methyl 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate Openeye Name: methyl 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate CAS Name: 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoate Traditional Name: 4-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methoxy]benzoic acid methyl ester Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH2+]CCC2=C1)COC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@@H]([NH2+]CCC2=C1)COC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C20H23NO5/c1-23-18-10-14-8-9-21-17(16(14)11-19(18)24-2)12-26-15-6-4-13(5-7-15)20(22)25-3/h4-7,10-11,17,21H,8-9,12H2,1-3H3/p+1/t17-/m0/s1