3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride Openeye Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride CAS Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride Traditional Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-isoquinolin-2-ium chloride Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3)OCO4)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3)OCO4)OC)OC.[Cl-]

InChI

InChI=1S/C19H18NO4.ClH/c1-20-10-14-9-18(22-3)17(21-2)8-13(14)6-15(20)12-4-5-16-19(7-12)24-11-23-16;/h4-10H,11H2,1-3H3;1H/q+1;/p-1