3-azaniumylpropyl-[2-[2,3-di(octadecanoyloxy)propylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 3-azaniumylpropyl-[2-[2,3-di(octadecanoyloxy)propylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 3-azaniumylpropyl-[2-[2,3-di(octadecanoyloxy)propylamino]-2-oxo-ethyl]ammonium CAS Name: 3-ammoniopropyl-[2-[2,3-bis(1-oxooctadecoxy)propylamino]-2-oxoethyl]ammonium IUPAC Name: 3-azaniumylpropyl-[2-[2,3-di(octadecanoyloxy)propylamino]-2-oxoethyl]azanium Traditional Name: 3-ammoniopropyl-[2-(2,3-distearoyloxypropylamino)-2-keto-ethyl]ammonium Formula: C44H89N3O5+2 MolecularWeight: 740.19456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)C[NH2+]CCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)C[NH2+]CCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C44H87N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-43(49)51-40-41(38-47-42(48)39-46-37-33-36-45)52-44(50)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41,46H,3-40,45H2,1-2H3,(H,47,48)/p+2