1-oct-7-enyl-3-[12-(3-pent-4-enylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium chloride iodide

Systemtic Name: 1-oct-7-enyl-3-[12-(3-pent-4-enylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium chloride iodide Openeye Name: 1-oct-7-enyl-3-[12-(3-pent-4-enylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium chloride iodide CAS Name: 1-oct-7-enyl-3-[12-(3-pent-4-enyl-1-pyridin-1-iumyl)dodecyl]pyridin-1-ium chloride iodide IUPAC Name: 1-oct-7-enyl-3-[12-(3-pent-4-enylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium chloride iodide Traditional Name: 1-oct-7-enyl-3-[12-(3-pent-4-enylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium chloride iodide Formula: C35H56ClIN2 MolecularWeight: 667.19001

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCC=C.[Cl-].[I-]

Isomeric SMILES

C=CCCCCCC[N+]1=CC=CC(=C1)CCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCC=C.[Cl-].[I-]

InChI

InChI=1S/C35H56N2.ClH.HI/c1-3-5-7-8-16-20-28-37-31-23-27-35(33-37)25-19-15-13-11-9-10-12-14-17-21-29-36-30-22-26-34(32-36)24-18-6-4-2;;/h3-4,22-23,26-27,30-33H,1-2,5-21,24-25,28-29H2;2*1H/q+2;;/p-2