4-tritriacontan-17-yl-1-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dichloride

Systemtic Name: 4-tritriacontan-17-yl-1-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dichloride Openeye Name: 4-(1-hexadecylheptadecyl)-1-[3-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium dichloride CAS Name: 4-tritriacontan-17-yl-1-[3-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)propyl]pyridin-1-ium dichloride IUPAC Name: 4-tritriacontan-17-yl-1-[3-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dichloride Traditional Name: 4-(1-cetylheptadecyl)-1-[3-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]propyl]pyridin-1-ium dichloride Formula: C79H148Cl2N2 MolecularWeight: 1196.93982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCC[N+]2=CC=C(C=C2)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C79H148N2.2ClH/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-62-76(63-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78-66-72-80(73-67-78)70-61-71-81-74-68-79(69-75-81)77(64-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)65-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;;/h66-69,72-77H,5-65,70-71H2,1-4H3;2*1H/q+2;;/p-2