2-[4-[[1,5-dioctadecoxy-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]phenoxy]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[4-[[1,5-dioctadecoxy-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]phenoxy]ethyl-trimethyl-azanium chloride Openeye Name: trimethyl-[2-[4-[(4-octadecoxy-1-octadecoxycarbonyl-4-oxo-butyl)carbamoyl]phenoxy]ethyl]ammonium chloride CAS Name: 2-[4-[[(1,5-dioctadecoxy-1,5-dioxopentan-2-yl)amino]-oxomethyl]phenoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[4-[(1,5-dioctadecoxy-1,5-dioxopentan-2-yl)carbamoyl]phenoxy]ethyl-trimethylazanium chloride Traditional Name: 2-[4-[(4-keto-4-stearyloxy-1-stearyloxycarbonyl-butyl)carbamoyl]phenoxy]ethyl-trimethyl-ammonium chloride Formula: C53H97ClN2O6 MolecularWeight: 893.80008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)OCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C53H96N2O6.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-45-60-51(56)43-42-50(54-52(57)48-38-40-49(41-39-48)59-47-44-55(3,4)5)53(58)61-46-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h38-41,50H,6-37,42-47H2,1-5H3;1H