dimethyl(2-phenoxytetradecan-3-yl)azanium bromide

Systemtic Name: dimethyl(2-phenoxytetradecan-3-yl)azanium bromide Openeye Name: dimethyl-[1-(1-phenoxyethyl)dodecyl]ammonium bromide CAS Name: dimethyl(2-phenoxytetradecan-3-yl)ammonium bromide IUPAC Name: dimethyl(2-phenoxytetradecan-3-yl)azanium bromide Traditional Name: dimethyl-[1-(1-phenoxyethyl)dodecyl]ammonium bromide Formula: C22H40BrNO MolecularWeight: 414.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C)OC1=CC=CC=C1)[NH+](C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C(C)OC1=CC=CC=C1)[NH+](C)C.[Br-]

InChI

InChI=1S/C22H39NO.BrH/c1-5-6-7-8-9-10-11-12-16-19-22(23(3)4)20(2)24-21-17-14-13-15-18-21;/h13-15,17-18,20,22H,5-12,16,19H2,1-4H3;1H