1-(6-bromanyl-2-methoxy-quinolin-3-yl)-1,2-diphenyl-4-(trimethylazaniumyl)butan-2-olate hydroiodide

Systemtic Name: 1-(6-bromanyl-2-methoxy-quinolin-3-yl)-1,2-diphenyl-4-(trimethylazaniumyl)butan-2-olate hydroiodide Openeye Name: 1-(6-bromo-2-methoxy-3-quinolyl)-1,2-diphenyl-4-(trimethylammonio)butan-2-olate hydroiodide CAS Name: 1-(6-bromo-2-methoxy-3-quinolinyl)-1,2-diphenyl-4-(trimethylammonio)-2-butanolate hydroiodide IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-1,2-diphenyl-4-(trimethylazaniumyl)butan-2-olate hydroiodide Traditional Name: 1-(6-bromo-2-methoxy-3-quinolyl)-1,2-diphenyl-4-(trimethylammonio)butan-2-olate hydroiodide Formula: C29H32BrIN2O2 MolecularWeight: 647.38505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)[O-].I

Isomeric SMILES

C[N+](C)(C)CCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)C3=C(N=C4C=CC(=CC4=C3)Br)OC)[O-].I

InChI

InChI=1S/C29H31BrN2O2.HI/c1-32(2,3)18-17-29(33,23-13-9-6-10-14-23)27(21-11-7-5-8-12-21)25-20-22-19-24(30)15-16-26(22)31-28(25)34-4;/h5-16,19-20,27H,17-18H2,1-4H3;1H