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

Systemtic Name: 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Openeye Name: 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide CAS Name: 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide IUPAC Name: 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Traditional Name: 6,7-dimethoxy-2-methyl-1-[3-(4-nitrophenyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium bromide Formula: C21H27BrN2O4 MolecularWeight: 451.35408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.[Br-]

Isomeric SMILES

C[NH+]1CCC2=CC(=C(C=C2C1CCCC3=CC=C(C=C3)[N+](=O)[O-])OC)OC.[Br-]

InChI

InChI=1S/C21H26N2O4.BrH/c1-22-12-11-16-13-20(26-2)21(27-3)14-18(16)19(22)6-4-5-15-7-9-17(10-8-15)23(24)25;/h7-10,13-14,19H,4-6,11-12H2,1-3H3;1H