2-(2-cyclohexyl-3-oxidanyl-3-propyl-hexanoyl)oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(2-cyclohexyl-3-oxidanyl-3-propyl-hexanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(2-cyclohexyl-3-hydroxy-3-propyl-hexanoyl)oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(2-cyclohexyl-3-hydroxy-1-oxo-3-propylhexoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(2-cyclohexyl-3-hydroxy-3-propylhexanoyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-(2-cyclohexyl-3-hydroxy-3-propyl-hexanoyl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C22H44BrNO3 MolecularWeight: 450.49366

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C(C1CCCCC1)C(=O)OCC[N+](C)(CC)CC)O.[Br-]

Isomeric SMILES

CCCC(CCC)(C(C1CCCCC1)C(=O)OCC[N+](C)(CC)CC)O.[Br-]

InChI

InChI=1S/C22H44NO3.BrH/c1-6-15-22(25,16-7-2)20(19-13-11-10-12-14-19)21(24)26-18-17-23(5,8-3)9-4;/h19-20,25H,6-18H2,1-5H3;1H/q+1;/p-1