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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium chloride Openeye Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium chloride CAS Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium chloride IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium chloride Traditional Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium chloride Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C=C3)OCO4)C.[Cl-]

Isomeric SMILES

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C=C3)OCO4)C.[Cl-]

InChI

InChI=1S/C20H20NO4.ClH/c1-12-15-10-19(23-4)18(22-3)9-14(15)7-16(21(12)2)13-5-6-17-20(8-13)25-11-24-17;/h5-10H,11H2,1-4H3;1H/q+1;/p-1