hexadecyl(2-methylbut-3-en-2-yl)azanium chloride

Systemtic Name: hexadecyl(2-methylbut-3-en-2-yl)azanium chloride Openeye Name: 1,1-dimethylallyl(hexadecyl)ammonium chloride CAS Name: hexadecyl(2-methylbut-3-en-2-yl)ammonium chloride IUPAC Name: hexadecyl(2-methylbut-3-en-2-yl)azanium chloride Traditional Name: cetyl(1,1-dimethylallyl)ammonium chloride Formula: C21H44ClN MolecularWeight: 346.03376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C=C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C(C)(C)C=C.[Cl-]

InChI

InChI=1S/C21H43N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(3,4)6-2;/h6,22H,2,5,7-20H2,1,3-4H3;1H