2-[2-cyclohexyl-2-(4-methyl-1-oxidanyl-cyclohexyl)ethanoyl]oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-[2-cyclohexyl-2-(4-methyl-1-oxidanyl-cyclohexyl)ethanoyl]oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[2-cyclohexyl-2-(1-hydroxy-4-methyl-cyclohexyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-[2-cyclohexyl-2-(1-hydroxy-4-methylcyclohexyl)-1-oxoethoxy]ethyl-diethyl-methylammonium bromide IUPAC Name: 2-[2-cyclohexyl-2-(1-hydroxy-4-methylcyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-[2-cyclohexyl-2-(1-hydroxy-4-methyl-cyclohexyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide Formula: C22H42BrNO3 MolecularWeight: 448.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCC(CC2)C)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCC(CC2)C)O.[Br-]

InChI

InChI=1S/C22H42NO3.BrH/c1-5-23(4,6-2)16-17-26-21(24)20(19-10-8-7-9-11-19)22(25)14-12-18(3)13-15-22;/h18-20,25H,5-17H2,1-4H3;1H/q+1;/p-1