methyl-[3-[methyl-bis(3-oxidanylidene-3-pentadecoxy-propyl)azaniumyl]propyl]-bis(3-oxidanylidene-3-pentadecoxy-propyl)azanium

Systemtic Name: methyl-[3-[methyl-bis(3-oxidanylidene-3-pentadecoxy-propyl)azaniumyl]propyl]-bis(3-oxidanylidene-3-pentadecoxy-propyl)azanium Openeye Name: methyl-[3-[methyl-bis(3-oxo-3-pentadecoxy-propyl)ammonio]propyl]-bis(3-oxo-3-pentadecoxy-propyl)ammonium CAS Name: methyl-[3-[methyl-bis(3-oxo-3-pentadecoxypropyl)ammonio]propyl]-bis(3-oxo-3-pentadecoxypropyl)ammonium IUPAC Name: methyl-[3-[methyl-bis(3-oxo-3-pentadecoxypropyl)azaniumyl]propyl]-bis(3-oxo-3-pentadecoxypropyl)azanium Traditional Name: 3-[bis(3-keto-3-pentadecoxy-propyl)-methyl-ammonio]propyl-bis(3-keto-3-pentadecoxy-propyl)-methyl-ammonium Formula: C77H152N2O8+2 MolecularWeight: 1234.03938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC[N+](C)(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC[N+](C)(CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC)CCC(=O)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C77H152N2O8/c1-7-11-15-19-23-27-31-35-39-43-47-51-55-70-84-74(80)60-66-78(5,67-61-75(81)85-71-56-52-48-44-40-36-32-28-24-20-16-12-8-2)64-59-65-79(6,68-62-76(82)86-72-57-53-49-45-41-37-33-29-25-21-17-13-9-3)69-63-77(83)87-73-58-54-50-46-42-38-34-30-26-22-18-14-10-4/h7-73H2,1-6H3/q+2