2-[4-(4-hexylphenyl)carbonylphenyl]carbonyloxyethyl-trimethyl-azanium bromide

Systemtic Name: 2-[4-(4-hexylphenyl)carbonylphenyl]carbonyloxyethyl-trimethyl-azanium bromide Openeye Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-trimethyl-ammonium bromide CAS Name: 2-[[4-[(4-hexylphenyl)-oxomethyl]phenyl]-oxomethoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-trimethylazanium bromide Traditional Name: 2-[4-(4-hexylbenzoyl)benzoyl]oxyethyl-trimethyl-ammonium bromide Formula: C25H34BrNO3 MolecularWeight: 476.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OCC[N+](C)(C)C.[Br-]

InChI

InChI=1S/C25H34NO3.BrH/c1-5-6-7-8-9-20-10-12-21(13-11-20)24(27)22-14-16-23(17-15-22)25(28)29-19-18-26(2,3)4;/h10-17H,5-9,18-19H2,1-4H3;1H/q+1;/p-1