1-(1-chloranylhexadecan-2-yl)-2-methyl-pyridin-1-ium chloride

Systemtic Name: 1-(1-chloranylhexadecan-2-yl)-2-methyl-pyridin-1-ium chloride Openeye Name: 1-[1-(chloromethyl)pentadecyl]-2-methyl-pyridin-1-ium chloride CAS Name: 1-(1-chlorohexadecan-2-yl)-2-methylpyridin-1-ium chloride IUPAC Name: 1-(1-chlorohexadecan-2-yl)-2-methylpyridin-1-ium chloride Traditional Name: 1-[1-(chloromethyl)pentadecyl]-2-methyl-pyridin-1-ium chloride Formula: C22H39Cl2N MolecularWeight: 388.45776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCl)[N+]1=CC=CC=C1C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCl)[N+]1=CC=CC=C1C.[Cl-]

InChI

InChI=1S/C22H39ClN.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-22(20-23)24-19-16-15-17-21(24)2;/h15-17,19,22H,3-14,18,20H2,1-2H3;1H/q+1;/p-1