2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid

Systemtic Name: 2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanoic acid Openeye Name: 2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid CAS Name: 2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid IUPAC Name: 2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Traditional Name: 2-[6,7-dimethoxy-1-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetic acid Formula: C20H24NO5+ MolecularWeight: 358.40826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2CC(=O)O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C3=CC(=C(C=C3CC[NH+]2CC(=O)O)OC)OC

InChI

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