5-chloranyl-7-iodanyl-quinolin-8-ol; 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium; 4,7-phenanthroline-5,6-dione; bromide

Systemtic Name: 5-chloranyl-7-iodanyl-quinolin-8-ol; 2-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxyethyl-diethyl-methyl-azanium; 4,7-phenanthroline-5,6-dione; bromide Openeye Name: 5-chloro-7-iodo-quinolin-8-ol; 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium; 4,7-phenanthroline-5,6-dione; bromide CAS Name: 5-chloro-7-iodo-8-quinolinol; 2-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)ethyl-diethyl-methylammonium; 4,7-phenanthroline-5,6-dione; bromide IUPAC Name: 5-chloro-7-iodoquinolin-8-ol; 2-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxyethyl-diethyl-methylazanium; 4,7-phenanthroline-5,6-dione; bromide Traditional Name: 5-chloro-7-iodo-quinolin-8-ol; 2-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxyethyl-diethyl-methyl-ammonium; 4,7-phenanthroline-5,6-quinone; bromide Formula: C42H45BrClIN4O6 MolecularWeight: 944.09137

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.C1=CC2=C(C(=O)C(=O)C3=C2C=CC=N3)N=C1.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O.C1=CC2=C(C(=O)C(=O)C3=C2C=CC=N3)N=C1.C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1.[Br-]

InChI

InChI=1S/C21H34NO3.C12H6N2O2.C9H5ClINO.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;15-11-9-7(3-1-5-13-9)8-4-2-6-14-10(8)12(11)16;10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1-6H;1-4,13H;1H/q+1;;;/p-1