2-(3-cyclohexyl-3-oxidanyl-2-phenyl-propanoyl)oxyethyl-diethyl-methyl-azanium bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C(C2CCCCC2)O.[Br-]

InChI

InChI=1S/C22H36NO3.BrH/c1-4-23(3,5-2)16-17-26-22(25)20(18-12-8-6-9-13-18)21(24)19-14-10-7-11-15-19;/h6,8-9,12-13,19-21,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1