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

Systemtic Name: 1-(6-bromanyl-2-methoxy-quinolin-3-yl)-1,2-diphenyl-6-(trimethylazaniumyl)hexan-2-olate hydroiodide Openeye Name: 1-(6-bromo-2-methoxy-3-quinolyl)-1,2-diphenyl-6-(trimethylammonio)hexan-2-olate hydroiodide CAS Name: 1-(6-bromo-2-methoxy-3-quinolinyl)-1,2-diphenyl-6-(trimethylammonio)-2-hexanolate hydroiodide IUPAC Name: 1-(6-bromo-2-methoxyquinolin-3-yl)-1,2-diphenyl-6-(trimethylazaniumyl)hexan-2-olate hydroiodide Traditional Name: 1-(6-bromo-2-methoxy-3-quinolyl)-1,2-diphenyl-6-(trimethylammonio)hexan-2-olate hydroiodide Formula: C31H36BrIN2O2 MolecularWeight: 675.43821

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H35BrN2O2.HI/c1-34(2,3)20-12-11-19-31(35,25-15-9-6-10-16-25)29(23-13-7-5-8-14-23)27-22-24-21-26(32)17-18-28(24)33-30(27)36-4;/h5-10,13-18,21-22,29H,11-12,19-20H2,1-4H3;1H