6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide

Systemtic Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-2-(4-nitrophenyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N2O4.BrH/c1-28-21-14-17-12-13-24(18-8-10-19(11-9-18)25(26)27)23(16-6-4-3-5-7-16)20(17)15-22(21)29-2;/h3-11,14-15H,12-13H2,1-2H3;1H/q+1;/p-1