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

Systemtic Name: diethyl-methyl-[2-[2-(1-oxidanylcyclohexyl)-2-phenyl-ethanoyl]oxyethyl]azanium bromide Openeye Name: diethyl-[2-[2-(1-hydroxycyclohexyl)-2-phenyl-acetyl]oxyethyl]-methyl-ammonium bromide CAS Name: diethyl-[2-[2-(1-hydroxycyclohexyl)-1-oxo-2-phenylethoxy]ethyl]-methylammonium bromide IUPAC Name: diethyl-[2-[2-(1-hydroxycyclohexyl)-2-phenylacetyl]oxyethyl]-methylazanium bromide Traditional Name: diethyl-[2-[2-(1-hydroxycyclohexyl)-2-phenyl-acetyl]oxyethyl]-methyl-ammonium bromide Formula: C21H34BrNO3 MolecularWeight: 428.40356

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)C(C1=CC=CC=C1)C2(CCCCC2)O.[Br-]

InChI

InChI=1S/C21H34NO3.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;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1