trimethyl-[2-oxidanyl-4-oxidanylidene-4-(2-tetradecyloctadecanoyloxy)butyl]azanium chloride

Systemtic Name: trimethyl-[2-oxidanyl-4-oxidanylidene-4-(2-tetradecyloctadecanoyloxy)butyl]azanium chloride Openeye Name: [2-hydroxy-4-oxo-4-(2-tetradecyloctadecanoyloxy)butyl]-trimethyl-ammonium chloride CAS Name: [2-hydroxy-4-oxo-4-(1-oxo-2-tetradecyloctadecoxy)butyl]-trimethylammonium chloride IUPAC Name: [2-hydroxy-4-oxo-4-(2-tetradecyloctadecanoyloxy)butyl]-trimethylazanium chloride Traditional Name: [2-hydroxy-4-keto-4-(2-myristyloctadecanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C39H78ClNO4 MolecularWeight: 660.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC(=O)CC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)OC(=O)CC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C39H78NO4.ClH/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-36(39(43)44-38(42)34-37(41)35-40(3,4)5)32-30-28-26-24-22-19-17-15-13-11-9-7-2;/h36-37,41H,6-35H2,1-5H3;1H/q+1;/p-1