[1-(4-methoxyphenyl)-1-oxidanylidene-dodecan-2-yl]-trimethyl-azanium bromide

Systemtic Name: [1-(4-methoxyphenyl)-1-oxidanylidene-dodecan-2-yl]-trimethyl-azanium bromide Openeye Name: 1-(4-methoxybenzoyl)undecyl-trimethyl-ammonium bromide CAS Name: [1-(4-methoxyphenyl)-1-oxododecan-2-yl]-trimethylammonium bromide IUPAC Name: [1-(4-methoxyphenyl)-1-oxododecan-2-yl]-trimethylazanium bromide Traditional Name: trimethyl(1-p-anisoylundecyl)ammonium bromide Formula: C22H38BrNO2 MolecularWeight: 428.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)OC)[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)C1=CC=C(C=C1)OC)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C22H38NO2.BrH/c1-6-7-8-9-10-11-12-13-14-21(23(2,3)4)22(24)19-15-17-20(25-5)18-16-19;/h15-18,21H,6-14H2,1-5H3;1H/q+1;/p-1