6,7-dimethoxy-2-methyl-1-phenyl-isoquinolin-2-ium chloride

Systemtic Name: 6,7-dimethoxy-2-methyl-1-phenyl-isoquinolin-2-ium chloride Openeye Name: 6,7-dimethoxy-2-methyl-1-phenyl-isoquinolin-2-ium chloride CAS Name: 6,7-dimethoxy-2-methyl-1-phenylisoquinolin-2-ium chloride IUPAC Name: 6,7-dimethoxy-2-methyl-1-phenylisoquinolin-2-ium chloride Traditional Name: 6,7-dimethoxy-2-methyl-1-phenyl-isoquinolin-2-ium chloride Formula: C18H18ClNO2 MolecularWeight: 315.79402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18NO2.ClH/c1-19-10-9-14-11-16(20-2)17(21-3)12-15(14)18(19)13-7-5-4-6-8-13;/h4-12H,1-3H3;1H/q+1;/p-1