6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-2-(3,4,5-trimethoxybenzyl)-3,4-dihydroisoquinolin-2-ium chloride Formula: C21H26ClNO5 MolecularWeight: 407.88784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[N+]2=CC3=CC(=C(C=C3CC2)OC)OC.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[N+]2=CC3=CC(=C(C=C3CC2)OC)OC.[Cl-]

InChI

InChI=1S/C21H26NO5.ClH/c1-23-17-10-15-6-7-22(13-16(15)11-18(17)24-2)12-14-8-19(25-3)21(27-5)20(9-14)26-4;/h8-11,13H,6-7,12H2,1-5H3;1H/q+1;/p-1