2-(1-cyclohexyl-3-oxidanyl-3-oxidanylidene-2-phenyl-propoxy)ethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(1-cyclohexyl-3-oxidanyl-3-oxidanylidene-2-phenyl-propoxy)ethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(1-cyclohexyl-3-hydroxy-3-oxo-2-phenyl-propoxy)ethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(1-cyclohexyl-3-hydroxy-3-oxo-2-phenylpropoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(1-cyclohexyl-3-hydroxy-3-oxo-2-phenylpropoxy)ethyl-diethyl-methylazanium bromide Traditional Name: 2-(1-cyclohexyl-3-hydroxy-3-keto-2-phenyl-propoxy)ethyl-diethyl-methyl-ammonium bromide Formula: C22H36BrNO3 MolecularWeight: 442.43014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(C1CCCCC1)C(C2=CC=CC=C2)C(=O)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(C1CCCCC1)C(C2=CC=CC=C2)C(=O)O.[Br-]

InChI

InChI=1S/C22H35NO3.BrH/c1-4-23(3,5-2)16-17-26-21(19-14-10-7-11-15-19)20(22(24)25)18-12-8-6-9-13-18;/h6,8-9,12-13,19-21H,4-5,7,10-11,14-17H2,1-3H3;1H