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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium Openeye Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium CAS Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium IUPAC Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium Traditional Name: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium Formula: C20H20NO4+ MolecularWeight: 338.3771

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H20NO4/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/q+1