Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Benzododecinium chloride	8001-54-5	8753

Structure

Other Information

Canonical SMILES	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
Iso SMILES	CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]
InChI	InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChI Key	JBIROUFYLSSYDX-UHFFFAOYSA-M
Formula	C21H38ClN
Mol Weight	339.986
XlogP3	0
Charge	0

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Synonyms Information

CAS Name	dodecyl-dimethyl-(phenylmethyl)ammonium chloride
IUPAC Name	benzyl-dodecyl-dimethyl-ammonium chloride
Openeye Name	benzyl-dodecyl-dimethylazanium chloride
Systematic Name	dodecyl-dimethyl-(phenylmethyl)azanium chloride
Tratitional Name	dodecyl-dimethyl-(phenylmethyl)azanium chloride