4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinolin-2-ium; methanesulfonate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate Traditional Name: 6,7-dimethoxy-4-piperonyl-isoquinolin-2-ium mesylate Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO4.CH4O3S/c1-21-17-7-14-10-20-9-13(15(14)8-18(17)22-2)5-12-3-4-16-19(6-12)24-11-23-16;1-5(2,3)4/h3-4,6-10H,5,11H2,1-2H3;1H3,(H,2,3,4)