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

Systemtic Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)benzene-1,2-diol Openeye Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)benzene-1,2-diol CAS Name: 4-(6,7-dimethoxy-1,2-dimethyl-3-isoquinolin-2-iumyl)benzene-1,2-diol IUPAC Name: 4-(6,7-dimethoxy-1,2-dimethylisoquinolin-2-ium-3-yl)benzene-1,2-diol Traditional Name: 4-(6,7-dimethoxy-1,2-dimethyl-isoquinolin-2-ium-3-yl)pyrocatechol Formula: C19H20NO4+ MolecularWeight: 326.3664

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO4/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/p+1