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

Systemtic Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium bromide Openeye Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-2-[(4-nitrophenyl)methyl]-3,4-dihydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-2-(4-nitrobenzyl)-3,4-dihydroisoquinolin-2-ium bromide Formula: C18H19BrN2O4 MolecularWeight: 407.25846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=[N+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Br-]

Isomeric SMILES

COC1=C(C=C2C=[N+](CCC2=C1)CC3=CC=C(C=C3)[N+](=O)[O-])OC.[Br-]

InChI

InChI=1S/C18H19N2O4.BrH/c1-23-17-9-14-7-8-19(12-15(14)10-18(17)24-2)11-13-3-5-16(6-4-13)20(21)22;/h3-6,9-10,12H,7-8,11H2,1-2H3;1H/q+1;/p-1