2-butanoyloxyethyl(heptadecan-9-yl)azanium bromide

Systemtic Name: 2-butanoyloxyethyl(heptadecan-9-yl)azanium bromide Openeye Name: 2-butanoyloxyethyl(1-octylnonyl)ammonium bromide CAS Name: heptadecan-9-yl-[2-(1-oxobutoxy)ethyl]ammonium bromide IUPAC Name: 2-butanoyloxyethyl(heptadecan-9-yl)azanium bromide Traditional Name: 2-butyryloxyethyl(1-octylnonyl)ammonium bromide Formula: C23H48BrNO2 MolecularWeight: 450.53672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCCCC)[NH2+]CCOC(=O)CCC.[Br-]

Isomeric SMILES

CCCCCCCCC(CCCCCCCC)[NH2+]CCOC(=O)CCC.[Br-]

InChI

InChI=1S/C23H47NO2.BrH/c1-4-7-9-11-13-15-18-22(19-16-14-12-10-8-5-2)24-20-21-26-23(25)17-6-3;/h22,24H,4-21H2,1-3H3;1H