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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinolin-2-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinolin-2-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-1-piperonyl-isoquinolin-2-ium Formula: C19H18NO4+ MolecularWeight: 324.35052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C[NH+]=C2CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H17NO4/c1-21-17-9-13-5-6-20-15(14(13)10-18(17)22-2)7-12-3-4-16-19(8-12)24-11-23-16/h3-6,8-10H,7,11H2,1-2H3/p+1