1-hexadecyl-3-methyl-pyridin-1-ium iodide

Systemtic Name: 1-hexadecyl-3-methyl-pyridin-1-ium iodide Openeye Name: 1-hexadecyl-3-methyl-pyridin-1-ium iodide CAS Name: 1-hexadecyl-3-methylpyridin-1-ium iodide IUPAC Name: 1-hexadecyl-3-methylpyridin-1-ium iodide Traditional Name: 1-cetyl-3-methyl-pyridin-1-ium iodide Formula: C22H40IN MolecularWeight: 445.46417

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C.[I-]

InChI

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