1-hexadecyl-4-octyl-pyridin-1-ium chloride

Systemtic Name: 1-hexadecyl-4-octyl-pyridin-1-ium chloride Openeye Name: 1-hexadecyl-4-octyl-pyridin-1-ium chloride CAS Name: 1-hexadecyl-4-octylpyridin-1-ium chloride IUPAC Name: 1-hexadecyl-4-octylpyridin-1-ium chloride Traditional Name: 1-cetyl-4-octyl-pyridin-1-ium chloride Formula: C29H54ClN MolecularWeight: 452.19876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H54N.ClH/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-26-30-27-24-29(25-28-30)23-21-19-10-8-6-4-2;/h24-25,27-28H,3-23,26H2,1-2H3;1H/q+1;/p-1