1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride

Systemtic Name: 1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride Openeye Name: 1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride CAS Name: 1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride IUPAC Name: 1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methylisoquinolin-2-ium chloride Traditional Name: 1-(3,4-dichlorophenyl)-2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium chloride Formula: C21H18Cl3N3O2 MolecularWeight: 450.74552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=CN3)C4=CC(=C(C=C4)Cl)Cl)OC)OC.[Cl-]

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC=CN3)C4=CC(=C(C=C4)Cl)Cl)OC)OC.[Cl-]

InChI

InChI=1S/C21H18Cl2N3O2.ClH/c1-12-8-14-10-18(27-2)19(28-3)11-15(14)20(26(12)21-24-6-7-25-21)13-4-5-16(22)17(23)9-13;/h4-11H,1-3H3,(H,24,25);1H/q+1;/p-1