[1-[2-(2-cyclohexylphenyl)ethanoyloxy]-3-ethyl-pentan-3-yl]azanium bromide

Systemtic Name: [1-[2-(2-cyclohexylphenyl)ethanoyloxy]-3-ethyl-pentan-3-yl]azanium bromide Openeye Name: [3-[2-(2-cyclohexylphenyl)acetyl]oxy-1,1-diethyl-propyl]ammonium bromide CAS Name: [1-[2-(2-cyclohexylphenyl)-1-oxoethoxy]-3-ethylpentan-3-yl]ammonium bromide IUPAC Name: [1-[2-(2-cyclohexylphenyl)acetyl]oxy-3-ethylpentan-3-yl]azanium bromide Traditional Name: [3-[2-(2-cyclohexylphenyl)acetyl]oxy-1,1-diethyl-propyl]ammonium bromide Formula: C21H34BrNO2 MolecularWeight: 412.40416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCOC(=O)CC1=CC=CC=C1C2CCCCC2)[NH3+].[Br-]

Isomeric SMILES

CCC(CC)(CCOC(=O)CC1=CC=CC=C1C2CCCCC2)[NH3+].[Br-]

InChI

InChI=1S/C21H33NO2.BrH/c1-3-21(22,4-2)14-15-24-20(23)16-18-12-8-9-13-19(18)17-10-6-5-7-11-17;/h8-9,12-13,17H,3-7,10-11,14-16,22H2,1-2H3;1H