trimethyl-(1-oxidanylidene-1-phenoxy-dodecan-2-yl)azanium bromide

Systemtic Name: trimethyl-(1-oxidanylidene-1-phenoxy-dodecan-2-yl)azanium bromide Openeye Name: trimethyl(1-phenoxycarbonylundecyl)ammonium bromide CAS Name: trimethyl-(1-oxo-1-phenoxydodecan-2-yl)ammonium bromide IUPAC Name: trimethyl-(1-oxo-1-phenoxydodecan-2-yl)azanium bromide Traditional Name: 1-carbophenoxyundecyl(trimethyl)ammonium bromide Formula: C21H36BrNO2 MolecularWeight: 414.42004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OC1=CC=CC=C1)[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCC(C(=O)OC1=CC=CC=C1)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C21H36NO2.BrH/c1-5-6-7-8-9-10-11-15-18-20(22(2,3)4)21(23)24-19-16-13-12-14-17-19;/h12-14,16-17,20H,5-11,15,18H2,1-4H3;1H/q+1;/p-1