2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride

Systemtic Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Openeye Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride CAS Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride IUPAC Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Traditional Name: 2-(2,4-dinitrophenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2-ium chloride Formula: C23H20ClN3O6 MolecularWeight: 469.8744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])OC.[Cl-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])OC.[Cl-]

InChI

InChI=1S/C23H20N3O6.ClH/c1-31-21-12-16-10-11-24(19-9-8-17(25(27)28)13-20(19)26(29)30)23(15-6-4-3-5-7-15)18(16)14-22(21)32-2;/h3-9,12-14H,10-11H2,1-2H3;1H/q+1;/p-1