3-azaniumylpropyl-[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 3-azaniumylpropyl-[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxidanylidene-ethyl]azanium Openeye Name: 3-azaniumylpropyl-[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxo-ethyl]ammonium CAS Name: 3-ammoniopropyl-[2-[2,3-bis(1-oxohexadecoxy)propoxy]-2-oxoethyl]ammonium IUPAC Name: 3-azaniumylpropyl-[2-[2,3-di(hexadecanoyloxy)propoxy]-2-oxoethyl]azanium Traditional Name: 3-ammoniopropyl-[2-[2,3-di(hexadecanoyloxy)propoxy]-2-keto-ethyl]ammonium Formula: C40H80N2O6+2 MolecularWeight: 685.073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C[NH2+]CCC[NH3+])OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)C[NH2+]CCC[NH3+])OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C40H78N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-38(43)46-35-37(36-47-40(45)34-42-33-29-32-41)48-39(44)31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42H,3-36,41H2,1-2H3/p+2