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hexadecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium chloride

hexadecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium chloride

Systemtic Name:hexadecyl-dimethyl-(2-oxidanyl-3-phenoxy-propyl)azanium chloride
Openeye Name:hexadecyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium chloride
CAS Name:hexadecyl-(2-hydroxy-3-phenoxypropyl)-dimethylammonium chloride
IUPAC Name:hexadecyl-(2-hydroxy-3-phenoxypropyl)-dimethylazanium chloride
Traditional Name:cetyl-(2-hydroxy-3-phenoxy-propyl)-dimethyl-ammonium chloride
Formula: C27H50ClNO2
MolecularWeight: 456.1444
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC(COC1=CC=CC=C1)O.[Cl-]


InChI

InChI=1S/C27H50NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-28(2,3)24-26(29)25-30-27-21-18-17-19-22-27;/h17-19,21-22,26,29H,4-16,20,23-25H2,1-3H3;1H/q+1;/p-1


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