1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dichloride

Systemtic Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dichloride Openeye Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dichloride CAS Name: 1-dodecyl-2-[8-(1-dodecyl-2-pyridin-1-iumyl)octyl]pyridin-1-ium dichloride IUPAC Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dichloride Traditional Name: 1-lauryl-2-[8-(1-laurylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dichloride Formula: C42H74Cl2N2 MolecularWeight: 677.95636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C42H74N2.2ClH/c1-3-5-7-9-11-13-15-19-23-29-37-43-39-31-27-35-41(43)33-25-21-17-18-22-26-34-42-36-28-32-40-44(42)38-30-24-20-16-14-12-10-8-6-4-2;;/h27-28,31-32,35-36,39-40H,3-26,29-30,33-34,37-38H2,1-2H3;2*1H/q+2;;/p-2