3,5-dibutyl-2-pentyl-1-propyl-pyridin-1-ium chloride

Systemtic Name: 3,5-dibutyl-2-pentyl-1-propyl-pyridin-1-ium chloride Openeye Name: 3,5-dibutyl-2-pentyl-1-propyl-pyridin-1-ium chloride CAS Name: 3,5-dibutyl-2-pentyl-1-propylpyridin-1-ium chloride IUPAC Name: 3,5-dibutyl-2-pentyl-1-propylpyridin-1-ium chloride Traditional Name: 2-amyl-3,5-dibutyl-1-propyl-pyridin-1-ium chloride Formula: C21H38ClN MolecularWeight: 339.98612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=[N+]1CCC)CCCC)CCCC.[Cl-]

Isomeric SMILES

CCCCCC1=C(C=C(C=[N+]1CCC)CCCC)CCCC.[Cl-]

InChI

InChI=1S/C21H38N.ClH/c1-5-9-12-15-21-20(14-11-7-3)17-19(13-10-6-2)18-22(21)16-8-4;/h17-18H,5-16H2,1-4H3;1H/q+1;/p-1