trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(E)-4-oxidanylidene-4-[4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-but-2-enoyl]oxy-butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[(E)-4-oxidanylidene-4-[4-oxidanyl-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-yl]oxy-but-2-enoyl]oxy-butyl]azanium Openeye Name: [4-hydroxy-2-[(E)-4-[3-hydroxy-3-oxo-1-[(trimethylammonio)methyl]propoxy]-4-oxo-but-2-enoyl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-2-[(E)-4-[4-hydroxy-4-oxo-1-(trimethylammonio)butan-2-yl]oxy-1,4-dioxobut-2-enoxy]-4-oxobutyl]-trimethylammonium IUPAC Name: [4-hydroxy-2-[(E)-4-[4-hydroxy-4-oxo-1-(trimethylazaniumyl)butan-2-yl]oxy-4-oxobut-2-enoyl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [4-hydroxy-2-[(E)-4-[3-hydroxy-3-keto-1-[(trimethylammonio)methyl]propoxy]-4-keto-but-2-enoyl]oxy-4-keto-butyl]-trimethyl-ammonium Formula: C18H32N2O8+2 MolecularWeight: 404.45528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O8/c1-19(2,3)11-13(9-15(21)22)27-17(25)7-8-18(26)28-14(10-16(23)24)12-20(4,5)6/h7-8,13-14H,9-12H2,1-6H3/p+2/b8-7+