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1-hexadecyl-4-methylpyridin-1-ium chloride

1-hexadecyl-4-methylpyridin-1-ium chloride

CAS: 13106-53-1

Formula: C22H40ClN

SMILES: [Cl-].CCCCCCCCCCCCCCCC[N+]1=CC=C(C)C=C1

IUPAC: 1-hexadecyl-4-methylpyridin-1-ium chloride

InChI: InChI=1S/C22H40N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-20-17-22(2)18-21-23;/h17-18,20-21H,3-16,19H2,1-2H3;1H/q+1;/p-1

Composition: C (74.64%), H (11.39%), Cl (10.01%), N (3.96%)

Molar Mass: 354.02

Atom Count: 64

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 353.284928
Formal Charge 0
FSP3 0.77
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey YCMFMSOTJOUSLI-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 104.18
Topological Polar Surface Area 3.88
Polarizability 40.92
Ring Count 1
Rotatable Bond Count 15

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