4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)benzene-1,2-diol chloride

Systemtic Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)benzene-1,2-diol chloride Openeye Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)benzene-1,2-diol chloride CAS Name: 4-(6,7-dimethoxy-1,2-dimethyl-3-isoquinolin-2-iumyl)benzene-1,2-diol chloride IUPAC Name: 4-(6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium-3-yl)benzene-1,2-diol chloride Traditional Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)pyrocatechol chloride Formula: C19H20ClNO4 MolecularWeight: 361.8194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)O)O)C.[Cl-]

Isomeric SMILES

CC1=[N+](C(=CC2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)O)O)C.[Cl-]

InChI

InChI=1S/C19H19NO4.ClH/c1-11-14-10-19(24-4)18(23-3)9-13(14)7-15(20(11)2)12-5-6-16(21)17(22)8-12;/h5-10,22H,1-4H3;1H