4-butan-2-yl-1-octadecyl-pyridin-1-ium chloride

Systemtic Name: 4-butan-2-yl-1-octadecyl-pyridin-1-ium chloride Openeye Name: 1-octadecyl-4-sec-butyl-pyridin-1-ium chloride CAS Name: 4-butan-2-yl-1-octadecylpyridin-1-ium chloride IUPAC Name: 4-butan-2-yl-1-octadecylpyridin-1-ium chloride Traditional Name: 4-sec-butyl-1-stearyl-pyridin-1-ium chloride Formula: C27H50ClN MolecularWeight: 424.1456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H50N.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-24-21-27(22-25-28)26(3)5-2;/h21-22,24-26H,4-20,23H2,1-3H3;1H/q+1;/p-1