2-carboxyethyl-[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxidanylidene-hexadecyl]azanium dichloride

Systemtic Name: 2-carboxyethyl-[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxidanylidene-hexadecyl]azanium dichloride Openeye Name: 2-carboxyethyl-[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxo-hexadecyl]ammonium dichloride CAS Name: [16-[2,3-bis(1-oxohexadecoxy)propoxy]-16-oxohexadecyl]-(2-carboxyethyl)ammonium dichloride IUPAC Name: 2-carboxyethyl-[16-[2,3-di(hexadecanoyloxy)propoxy]-16-oxohexadecyl]azanium dichloride Traditional Name: 2-carboxyethyl-[16-[2,3-di(hexadecanoyloxy)propoxy]-16-keto-hexadecyl]ammonium dichloride Formula: C54H104Cl2NO8- MolecularWeight: 966.31146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC[NH2+]CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC[NH2+]CCC(=O)O)OC(=O)CCCCCCCCCCCCCCC.[Cl-].[Cl-]

InChI

InChI=1S/C54H103NO8.2ClH/c1-3-5-7-9-11-13-15-18-22-26-30-34-38-42-52(58)61-48-50(63-54(60)44-40-36-32-28-24-19-16-14-12-10-8-6-4-2)49-62-53(59)43-39-35-31-27-23-20-17-21-25-29-33-37-41-46-55-47-45-51(56)57;;/h50,55H,3-49H2,1-2H3,(H,56,57);2*1H/p-1