benzyl-dimethyl-tridecyl-azanium chloride

Benzalkonium Compounds A mixture of alkylbenzyldimethylammonium compounds. It is a bactericidal quaternary ammonium detergent used topically in medicaments, deodorants, mouthwashes, as a surgical antiseptic, and as a as preservative and emulsifier in drugs and cosmetics.

Molecular Formula: C₂₂H₄₀ClN

InChI: InChI=1/C22H40N.ClH/c1-4-5-6-7-8-9-10-11-12-13-17-20-23(2,3)21-22-18-15-14-16-19-22;/h14-16,18-19H,4-13,17,20-21H2,1-3H3;1H/q+1;/p-1/fC22H40N.Cl/h;1h/qm;-1

InChIKey: InChIKey=XIWFQDBQMCDYJT-GDVGAXCACL
SMILES: CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]

Names:
    BENZALKONIUM CHLORIDE
    benzyl-dimethyl-tridecyl-azanium chloride
    (alkyl length: C8-18)

Registries:
    PubChem CID 3014024
    PubChem ID 8150005