2-[6-(7,8-dimethoxy-2-methyl-isoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol

Systemtic Name: 2-[6-(7,8-dimethoxy-2-methyl-isoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol Openeye Name: 2-[6-(7,8-dimethoxy-2-methyl-isoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol CAS Name: 2-[6-(7,8-dimethoxy-2-methyl-3-isoquinolin-2-iumyl)-1,3-benzodioxol-5-yl]ethanol IUPAC Name: 2-[6-(7,8-dimethoxy-2-methylisoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol Traditional Name: 2-[6-(7,8-dimethoxy-2-methyl-isoquinolin-2-ium-3-yl)-1,3-benzodioxol-5-yl]ethanol Formula: C21H22NO5+ MolecularWeight: 368.40308

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C2C=CC(=C(C2=C1)OC)OC)C3=CC4=C(C=C3CCO)OCO4

Isomeric SMILES

C[N+]1=C(C=C2C=CC(=C(C2=C1)OC)OC)C3=CC4=C(C=C3CCO)OCO4

InChI

InChI=1S/C21H22NO5/c1-22-11-16-13(4-5-18(24-2)21(16)25-3)8-17(22)15-10-20-19(26-12-27-20)9-14(15)6-7-23/h4-5,8-11,23H,6-7,12H2,1-3H3/q+1