1-oct-7-enyl-3-[13-(3-oct-7-enylpyridin-1-ium-1-yl)tridecyl]pyridin-1-ium chloride iodide

Systemtic Name: 1-oct-7-enyl-3-[13-(3-oct-7-enylpyridin-1-ium-1-yl)tridecyl]pyridin-1-ium chloride iodide Openeye Name: 1-oct-7-enyl-3-[13-(3-oct-7-enylpyridin-1-ium-1-yl)tridecyl]pyridin-1-ium chloride iodide CAS Name: 1-oct-7-enyl-3-[13-(3-oct-7-enyl-1-pyridin-1-iumyl)tridecyl]pyridin-1-ium chloride iodide IUPAC Name: 1-oct-7-enyl-3-[13-(3-oct-7-enylpyridin-1-ium-1-yl)tridecyl]pyridin-1-ium chloride iodide Traditional Name: 1-oct-7-enyl-3-[13-(3-oct-7-enylpyridin-1-ium-1-yl)tridecyl]pyridin-1-ium chloride iodide Formula: C39H64ClIN2 MolecularWeight: 723.29633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCCC1=C[N+](=CC=C1)CCCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCC=C.[Cl-].[I-]

Isomeric SMILES

C=CCCCCCCC1=C[N+](=CC=C1)CCCCCCCCCCCCCC2=C[N+](=CC=C2)CCCCCCC=C.[Cl-].[I-]

InChI

InChI=1S/C39H64N2.ClH.HI/c1-3-5-7-9-18-22-28-38-30-26-35-41(36-38)33-25-21-17-15-13-11-12-14-16-19-23-29-39-31-27-34-40(37-39)32-24-20-10-8-6-4-2;;/h3-4,26-27,30-31,34-37H,1-2,5-25,28-29,32-33H2;2*1H/q+2;;/p-2