(4-ethenylphenyl)methyl-hexadecyl-dimethyl-azanium chloride

Systemtic Name: (4-ethenylphenyl)methyl-hexadecyl-dimethyl-azanium chloride Openeye Name: hexadecyl-dimethyl-[(4-vinylphenyl)methyl]ammonium chloride CAS Name: (4-ethenylphenyl)methyl-hexadecyl-dimethylammonium chloride IUPAC Name: (4-ethenylphenyl)methyl-hexadecyl-dimethylazanium chloride Traditional Name: cetyl-dimethyl-(4-vinylbenzyl)ammonium chloride Formula: C27H48ClN MolecularWeight: 422.12972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H48N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28(3,4)25-27-22-20-26(6-2)21-23-27;/h6,20-23H,2,5,7-19,24-25H2,1,3-4H3;1H/q+1;/p-1