1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-isoquinolin-2-ium

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-isoquinolin-2-ium Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-isoquinolin-2-ium CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxyisoquinolin-2-ium IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxyisoquinolin-2-ium Traditional Name: 5,6-dimethoxy-1-veratryl-isoquinolin-2-ium Formula: C20H22NO4+ MolecularWeight: 340.39298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=[NH+]C=CC3=C2C=CC(=C3OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=[NH+]C=CC3=C2C=CC(=C3OC)OC)OC

InChI

InChI=1S/C20H21NO4/c1-22-17-7-5-13(12-19(17)24-3)11-16-14-6-8-18(23-2)20(25-4)15(14)9-10-21-16/h5-10,12H,11H2,1-4H3/p+1