3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

Systemtic Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Openeye Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride CAS Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride IUPAC Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Traditional Name: 3-(6-ethyl-1,3-benzodioxol-5-yl)-7,8-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium chloride Formula: C21H26ClNO4 MolecularWeight: 391.88844

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C3CC4=C(C[NH+]3C)C(=C(C=C4)OC)OC)OCO2.[Cl-]

Isomeric SMILES

CCC1=CC2=C(C=C1C3CC4=C(C[NH+]3C)C(=C(C=C4)OC)OC)OCO2.[Cl-]

InChI

InChI=1S/C21H25NO4.ClH/c1-5-13-9-19-20(26-12-25-19)10-15(13)17-8-14-6-7-18(23-3)21(24-4)16(14)11-22(17)2;/h6-7,9-10,17H,5,8,11-12H2,1-4H3;1H