diethyl-methyl-[2-[2-(3-methyl-1-oxidanyl-cyclohexyl)-2-phenyl-ethanoyl]oxyethyl]azanium bromide

Systemtic Name: diethyl-methyl-[2-[2-(3-methyl-1-oxidanyl-cyclohexyl)-2-phenyl-ethanoyl]oxyethyl]azanium bromide Openeye Name: diethyl-[2-[2-(1-hydroxy-3-methyl-cyclohexyl)-2-phenyl-acetyl]oxyethyl]-methyl-ammonium bromide CAS Name: diethyl-[2-[2-(1-hydroxy-3-methylcyclohexyl)-1-oxo-2-phenylethoxy]ethyl]-methylammonium bromide IUPAC Name: diethyl-[2-[2-(1-hydroxy-3-methylcyclohexyl)-2-phenylacetyl]oxyethyl]-methylazanium bromide Traditional Name: diethyl-[2-[2-(1-hydroxy-3-methyl-cyclohexyl)-2-phenyl-acetyl]oxyethyl]-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)C2(CCCC(C2)C)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC(C2)C)O.[Br-]

InChI

InChI=1S/C22H36NO3.BrH/c1-5-23(4,6-2)15-16-26-21(24)20(19-12-8-7-9-13-19)22(25)14-10-11-18(3)17-22;/h7-9,12-13,18,20,25H,5-6,10-11,14-17H2,1-4H3;1H/q+1;/p-1