1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinolin-2-ium 2-oxide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinolin-2-ium 2-oxide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinolin-2-ium 2-oxide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinolin-2-ium 2-oxide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1H-isoquinolin-2-ium 2-oxide Traditional Name: 6,7-dimethoxy-1-veratryl-1H-isoquinolin-2-ium 2-oxide Formula: C20H22NO5+ MolecularWeight: 356.39238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3C=C[N+]2=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3C=C[N+]2=O)OC)OC)OC

InChI

InChI=1S/C20H22NO5/c1-23-17-6-5-13(10-18(17)24-2)9-16-15-12-20(26-4)19(25-3)11-14(15)7-8-21(16)22/h5-8,10-12,16H,9H2,1-4H3/q+1