2-(4-chloranylphenoxy)ethyl-dodecyl-dimethyl-azanium bromide

Systemtic Name: 2-(4-chloranylphenoxy)ethyl-dodecyl-dimethyl-azanium bromide Openeye Name: 2-(4-chlorophenoxy)ethyl-dodecyl-dimethyl-ammonium bromide CAS Name: 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylammonium bromide IUPAC Name: 2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium bromide Traditional Name: 2-(4-chlorophenoxy)ethyl-lauryl-dimethyl-ammonium bromide Formula: C22H39BrClNO MolecularWeight: 448.90816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1