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

Systemtic Name: 2-[2-cyclohexyl-2-(1-oxidanylcyclohexyl)ethanoyl]oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)-1-oxoethoxy]ethyl-diethyl-methylammonium bromide IUPAC Name: 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-[2-cyclohexyl-2-(1-hydroxycyclohexyl)acetyl]oxyethyl-diethyl-methyl-ammonium bromide Formula: C21H40BrNO3 MolecularWeight: 434.4512

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1CCCCC1)C2(CCCCC2)O.[Br-]

InChI

InChI=1S/C21H40NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)19(18-12-8-6-9-13-18)21(24)14-10-7-11-15-21;/h18-19,24H,4-17H2,1-3H3;1H/q+1;/p-1