2-(3,4-dicyclohexyl-4-oxidanyl-butanoyl)oxyethyl-diethyl-methyl-azanium bromide

Systemtic Name: 2-(3,4-dicyclohexyl-4-oxidanyl-butanoyl)oxyethyl-diethyl-methyl-azanium bromide Openeye Name: 2-(3,4-dicyclohexyl-4-hydroxy-butanoyl)oxyethyl-diethyl-methyl-ammonium bromide CAS Name: 2-(3,4-dicyclohexyl-4-hydroxy-1-oxobutoxy)ethyl-diethyl-methylammonium bromide IUPAC Name: 2-(3,4-dicyclohexyl-4-hydroxybutanoyl)oxyethyl-diethyl-methylazanium bromide Traditional Name: 2-(3,4-dicyclohexyl-4-hydroxy-butanoyl)oxyethyl-diethyl-methyl-ammonium bromide Formula: C23H44BrNO3 MolecularWeight: 462.50436

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC(=O)CC(C1CCCCC1)C(C2CCCCC2)O.[Br-]

Isomeric SMILES

CC[N+](C)(CC)CCOC(=O)CC(C1CCCCC1)C(C2CCCCC2)O.[Br-]

InChI

InChI=1S/C23H44NO3.BrH/c1-4-24(3,5-2)16-17-27-22(25)18-21(19-12-8-6-9-13-19)23(26)20-14-10-7-11-15-20;/h19-21,23,26H,4-18H2,1-3H3;1H/q+1;/p-1