dimethyl-[4-(4-methylphenoxy)-4-oxidanylidene-butyl]-tetradecyl-azanium chloride

Systemtic Name: dimethyl-[4-(4-methylphenoxy)-4-oxidanylidene-butyl]-tetradecyl-azanium chloride Openeye Name: dimethyl-[4-(4-methylphenoxy)-4-oxo-butyl]-tetradecyl-ammonium chloride CAS Name: dimethyl-[4-(4-methylphenoxy)-4-oxobutyl]-tetradecylammonium chloride IUPAC Name: dimethyl-[4-(4-methylphenoxy)-4-oxobutyl]-tetradecylazanium chloride Traditional Name: [4-keto-4-(4-methylphenoxy)butyl]-dimethyl-myristyl-ammonium chloride Formula: C27H48ClNO2 MolecularWeight: 454.12852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CCCC(=O)OC1=CC=C(C=C1)C.[Cl-]

InChI

InChI=1S/C27H48NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-28(3,4)24-17-18-27(29)30-26-21-19-25(2)20-22-26;/h19-22H,5-18,23-24H2,1-4H3;1H/q+1;/p-1