4-tritriacontan-17-yl-1-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium

Systemtic Name: 4-tritriacontan-17-yl-1-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium Openeye Name: 4-(1-hexadecylheptadecyl)-1-[4-[4-(1-hexadecylheptadecyl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium CAS Name: 4-tritriacontan-17-yl-1-[4-(4-tritriacontan-17-yl-1-pyridin-1-iumyl)butyl]pyridin-1-ium IUPAC Name: 4-tritriacontan-17-yl-1-[4-(4-tritriacontan-17-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium Traditional Name: 4-(1-cetylheptadecyl)-1-[4-[4-(1-cetylheptadecyl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium Formula: C80H150N2+2 MolecularWeight: 1140.0604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+]2=CC=C(C=C2)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)C1=CC=[N+](C=C1)CCCC[N+]2=CC=C(C=C2)C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

InChI

InChI=1S/C80H150N2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-63-77(64-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)79-67-73-81(74-68-79)71-61-62-72-82-75-69-80(70-76-82)78(65-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)66-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h67-70,73-78H,5-66,71-72H2,1-4H3/q+2