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

Systemtic Name: bis(2-hydroxyethyl)-methyl-[2-[methyl-bis(3-oxidanylidene-3-tetradecoxy-propyl)azaniumyl]ethyl]azanium Openeye Name: bis(2-hydroxyethyl)-methyl-[2-[methyl-bis(3-oxo-3-tetradecoxy-propyl)ammonio]ethyl]ammonium CAS Name: bis(2-hydroxyethyl)-methyl-[2-[methyl-bis(3-oxo-3-tetradecoxypropyl)ammonio]ethyl]ammonium IUPAC Name: bis(2-hydroxyethyl)-methyl-[2-[methyl-bis(3-oxo-3-tetradecoxypropyl)azaniumyl]ethyl]azanium Traditional Name: 2-[bis(2-hydroxyethyl)-methyl-ammonio]ethyl-bis(3-keto-3-myristyloxy-propyl)-methyl-ammonium Formula: C42H86N2O6+2 MolecularWeight: 715.14204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC(=O)OCCCCCCCCCCCCCC)CC[N+](C)(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CC[N+](C)(CCC(=O)OCCCCCCCCCCCCCC)CC[N+](C)(CCO)CCO

InChI

InChI=1S/C42H86N2O6/c1-5-7-9-11-13-15-17-19-21-23-25-27-39-49-41(47)29-31-43(3,33-34-44(4,35-37-45)36-38-46)32-30-42(48)50-40-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-46H,5-40H2,1-4H3/q+2