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

Systemtic Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-2-(4-nitrobenzyl)-1-phenyl-3,4-dihydroisoquinolin-2-ium bromide Formula: C24H23BrN2O4 MolecularWeight: 483.35442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-])OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C(=C1)CC[N+](=C2C3=CC=CC=C3)CC4=CC=C(C=C4)[N+](=O)[O-])OC.[Br-]

InChI

InChI=1S/C24H23N2O4.BrH/c1-29-22-14-19-12-13-25(16-17-8-10-20(11-9-17)26(27)28)24(18-6-4-3-5-7-18)21(19)15-23(22)30-2;/h3-11,14-15H,12-13,16H2,1-2H3;1H/q+1;/p-1