3-[(6-bromanyl-2-methoxy-quinolin-3-yl)-phenyl-methyl]-1-phenyl-5-(trimethylazaniumyl)pentan-3-olate hydroiodide

Systemtic Name: 3-[(6-bromanyl-2-methoxy-quinolin-3-yl)-phenyl-methyl]-1-phenyl-5-(trimethylazaniumyl)pentan-3-olate hydroiodide Openeye Name: 3-[(6-bromo-2-methoxy-3-quinolyl)-phenyl-methyl]-1-phenyl-5-(trimethylammonio)pentan-3-olate hydroiodide CAS Name: 3-[(6-bromo-2-methoxy-3-quinolinyl)-phenylmethyl]-1-phenyl-5-(trimethylammonio)-3-pentanolate hydroiodide IUPAC Name: 3-[(6-bromo-2-methoxyquinolin-3-yl)-phenylmethyl]-1-phenyl-5-(trimethylazaniumyl)pentan-3-olate hydroiodide Traditional Name: 3-[(6-bromo-2-methoxy-3-quinolyl)-phenyl-methyl]-1-phenyl-5-(trimethylammonio)pentan-3-olate hydroiodide Formula: C31H36BrIN2O2 MolecularWeight: 675.43821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC(CCC1=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(CCC1=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)20-19-31(35,18-17-23-11-7-5-8-12-23)29(24-13-9-6-10-14-24)27-22-25-21-26(32)15-16-28(25)33-30(27)36-4;/h5-16,21-22,29H,17-20H2,1-4H3;1H