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

Systemtic Name: 2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium chloride Openeye Name: 2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium chloride CAS Name: 2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium chloride IUPAC Name: 2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium chloride Traditional Name: 2-(1H-imidazol-2-yl)-6,7-dimethoxy-3-methyl-1-(4-nitrophenyl)isoquinolin-2-ium chloride Formula: C21H19ClN4O4 MolecularWeight: 426.85296

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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)[N+](=O)[O-])OC)OC.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H19N4O4.ClH/c1-13-10-15-11-18(28-2)19(29-3)12-17(15)20(24(13)21-22-8-9-23-21)14-4-6-16(7-5-14)25(26)27;/h4-12H,1-3H3,(H,22,23);1H/q+1;/p-1