1-octadecyl-4-pentyl-pyridin-1-ium chloride

Systemtic Name: 1-octadecyl-4-pentyl-pyridin-1-ium chloride Openeye Name: 1-octadecyl-4-pentyl-pyridin-1-ium chloride CAS Name: 1-octadecyl-4-pentylpyridin-1-ium chloride IUPAC Name: 1-octadecyl-4-pentylpyridin-1-ium chloride Traditional Name: 4-amyl-1-stearyl-pyridin-1-ium chloride Formula: C28H52ClN MolecularWeight: 438.17218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCC.[Cl-]

InChI

InChI=1S/C28H52N.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-25-29-26-23-28(24-27-29)22-20-6-4-2;/h23-24,26-27H,3-22,25H2,1-2H3;1H/q+1;/p-1