1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol chloride

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol chloride Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol chloride CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-methylisoquinolin-2-ium-6,7-diol chloride IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-2-methylisoquinolin-2-ium-6,7-diol chloride Traditional Name: 2-methyl-1-veratryl-isoquinolin-2-ium-6,7-diol chloride Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C2=CC(=C(C=C2C=C1)O)O)CC3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

C[N+]1=C(C2=CC(=C(C=C2C=C1)O)O)CC3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C19H19NO4.ClH/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3;/h4-7,9-11,22H,8H2,1-3H3;1H