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dimethyl-octyl-(11-oxidanylidene-11-phenoxy-undecyl)azanium chloride

dimethyl-octyl-(11-oxidanylidene-11-phenoxy-undecyl)azanium chloride

Systemtic Name:dimethyl-octyl-(11-oxidanylidene-11-phenoxy-undecyl)azanium chloride
Openeye Name:dimethyl-octyl-(11-oxo-11-phenoxy-undecyl)ammonium chloride
CAS Name:dimethyl-octyl-(11-oxo-11-phenoxyundecyl)ammonium chloride
IUPAC Name:dimethyl-octyl-(11-oxo-11-phenoxyundecyl)azanium chloride
Traditional Name:(11-keto-11-phenoxy-undecyl)-dimethyl-octyl-ammonium chloride
Formula: C27H48ClNO2
MolecularWeight: 454.12852
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C27H48NO2.ClH/c1-4-5-6-7-13-19-24-28(2,3)25-20-14-11-9-8-10-12-18-23-27(29)30-26-21-16-15-17-22-26;/h15-17,21-22H,4-14,18-20,23-25H2,1-3H3;1H/q+1;/p-1


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