3-chloranyl-1-hexyl-5-methyl-pyridin-1-ium ethanoate

Systemtic Name: 3-chloranyl-1-hexyl-5-methyl-pyridin-1-ium ethanoate Openeye Name: 3-chloro-1-hexyl-5-methyl-pyridin-1-ium acetate CAS Name: 3-chloro-1-hexyl-5-methylpyridin-1-ium acetate IUPAC Name: 3-chloro-1-hexyl-5-methylpyridin-1-ium acetate Traditional Name: 3-chloro-1-hexyl-5-methyl-pyridin-1-ium acetate Formula: C14H22ClNO2 MolecularWeight: 271.78298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=CC(=CC(=C1)Cl)C.CC(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1=CC(=CC(=C1)Cl)C.CC(=O)[O-]

InChI

InChI=1S/C12H19ClN.C2H4O2/c1-3-4-5-6-7-14-9-11(2)8-12(13)10-14;1-2(3)4/h8-10H,3-7H2,1-2H3;1H3,(H,3,4)/q+1;/p-1