(3-ethylphenyl)methyl-hexadecyl-dimethyl-azanium chloride

Systemtic Name: (3-ethylphenyl)methyl-hexadecyl-dimethyl-azanium chloride Openeye Name: (3-ethylphenyl)methyl-hexadecyl-dimethyl-ammonium chloride CAS Name: (3-ethylphenyl)methyl-hexadecyl-dimethylammonium chloride IUPAC Name: (3-ethylphenyl)methyl-hexadecyl-dimethylazanium chloride Traditional Name: cetyl-(3-ethylbenzyl)-dimethyl-ammonium chloride Formula: C27H50ClN MolecularWeight: 424.1456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC(=C1)CC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC(=C1)CC.[Cl-]

InChI

InChI=1S/C27H50N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(3,4)25-27-22-20-21-26(6-2)24-27;/h20-22,24H,5-19,23,25H2,1-4H3;1H/q+1;/p-1