dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide

Systemtic Name: dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide Openeye Name: dodecyl-dimethyl-(2-phenoxyethyl)ammonium bromide CAS Name: dodecyl-dimethyl-(2-phenoxyethyl)ammonium bromide IUPAC Name: dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide Traditional Name: lauryl-dimethyl-(2-phenoxyethyl)ammonium bromide Formula: C22H40BrNO MolecularWeight: 414.4631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1