[3-carboxy-6-methyl-4-oxidanylidene-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-heptyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-6-methyl-4-oxidanylidene-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]oxy-heptyl]-trimethyl-azanium Openeye Name: [3-carboxy-2-[(E)-4-hydroxy-4-oxo-but-2-enoyl]oxy-6-methyl-4-oxo-heptyl]-trimethyl-ammonium CAS Name: [3-carboxy-2-[(E)-4-hydroxy-1,4-dioxobut-2-enoxy]-6-methyl-4-oxoheptyl]-trimethylammonium IUPAC Name: [3-carboxy-2-[(E)-4-hydroxy-4-oxobut-2-enoyl]oxy-6-methyl-4-oxoheptyl]-trimethylazanium Traditional Name: [3-carboxy-2-[(E)-4-hydroxy-4-keto-but-2-enoyl]oxy-4-keto-6-methyl-heptyl]-trimethyl-ammonium Formula: C16H26NO7+ MolecularWeight: 344.38014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO7/c1-10(2)8-11(18)15(16(22)23)12(9-17(3,4)5)24-14(21)7-6-13(19)20/h6-7,10,12,15H,8-9H2,1-5H3,(H-,19,20,22,23)/p+1/b7-6+