trimethyl-[11-oxidanylidene-11-[(2R)-4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-undecyl]azanium

Systemtic Name: trimethyl-[11-oxidanylidene-11-[(2R)-4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-undecyl]azanium Openeye Name: [11-[(1R)-3-hydroxy-3-oxo-1-[(trimethylammonio)methyl]propoxy]-11-oxo-undecyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[1-oxo-11-(trimethylammonio)undecoxy]butyl]-trimethylammonium IUPAC Name: [11-[(2R)-4-hydroxy-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxy-11-oxoundecyl]-trimethylazanium Traditional Name: [11-[(1R)-3-hydroxy-3-keto-1-[(trimethylammonio)methyl]propoxy]-11-keto-undecyl]-trimethyl-ammonium Formula: C21H44N2O4+2 MolecularWeight: 388.58506

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

C[N+](C)(C)CCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C21H43N2O4/c1-22(2,3)16-14-12-10-8-7-9-11-13-15-21(26)27-19(17-20(24)25)18-23(4,5)6/h19H,7-18H2,1-6H3/q+1/p+1/t19-/m1/s1