3-ethyl-1-octadecyl-pyridin-1-ium chloride

Systemtic Name: 3-ethyl-1-octadecyl-pyridin-1-ium chloride Openeye Name: 3-ethyl-1-octadecyl-pyridin-1-ium chloride CAS Name: 3-ethyl-1-octadecylpyridin-1-ium chloride IUPAC Name: 3-ethyl-1-octadecylpyridin-1-ium chloride Traditional Name: 3-ethyl-1-stearyl-pyridin-1-ium chloride Formula: C25H46ClN MolecularWeight: 396.09244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-23-20-21-25(4-2)24-26;/h20-21,23-24H,3-19,22H2,1-2H3;1H/q+1;/p-1