2,3-dimethoxy-6-[[2-methyl-6,7-bis(oxidanyl)-3,4-dihydroisoquinolin-2-ium-1-yl]methyl]benzoic acid

Systemtic Name: 2,3-dimethoxy-6-[[2-methyl-6,7-bis(oxidanyl)-3,4-dihydroisoquinolin-2-ium-1-yl]methyl]benzoic acid Openeye Name: 6-[(6,7-dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(6,7-dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(6,7-dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(6,7-dihydroxy-2-methyl-3,4-dihydroisoquinolin-2-ium-1-yl)methyl]-2,3-dimethoxy-benzoic acid Formula: C20H22NO6+ MolecularWeight: 372.39178

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2CC1)O)O)CC3=C(C(=C(C=C3)OC)OC)C(=O)O

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2CC1)O)O)CC3=C(C(=C(C=C3)OC)OC)C(=O)O

InChI

InChI=1S/C20H21NO6/c1-21-7-6-11-9-15(22)16(23)10-13(11)14(21)8-12-4-5-17(26-2)19(27-3)18(12)20(24)25/h4-5,9-10H,6-8H2,1-3H3,(H2,23,24,25)/p+1