bis(2-hydroxyethyl)-methyl-[3-[methyl-bis(3-oxidanylidene-3-pentadecoxy-propyl)azaniumyl]propyl]azanium

Systemtic Name: bis(2-hydroxyethyl)-methyl-[3-[methyl-bis(3-oxidanylidene-3-pentadecoxy-propyl)azaniumyl]propyl]azanium Openeye Name: bis(2-hydroxyethyl)-methyl-[3-[methyl-bis(3-oxo-3-pentadecoxy-propyl)ammonio]propyl]ammonium CAS Name: bis(2-hydroxyethyl)-methyl-[3-[methyl-bis(3-oxo-3-pentadecoxypropyl)ammonio]propyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-methyl-[3-[methyl-bis(3-oxo-3-pentadecoxypropyl)azaniumyl]propyl]azanium Traditional Name: 3-[bis(2-hydroxyethyl)-methyl-ammonio]propyl-bis(3-keto-3-pentadecoxy-propyl)-methyl-ammonium Formula: C45H92N2O6+2 MolecularWeight: 757.22178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H92N2O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-42-52-44(50)32-36-46(3,34-31-35-47(4,38-40-48)39-41-49)37-33-45(51)53-43-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h48-49H,5-43H2,1-4H3/q+2