6-methyl-6-oxidanyl-4,8-bis(oxidanylidene)-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate

Systemtic Name: 6-methyl-6-oxidanyl-4,8-bis(oxidanylidene)-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate Openeye Name: 6-hydroxy-6-methyl-4,8-dioxo-2-[(trimethylammonio)methyl]oxocane-3-carboxylate CAS Name: 6-hydroxy-6-methyl-4,8-dioxo-2-[(trimethylammonio)methyl]-3-oxocanecarboxylate IUPAC Name: 6-hydroxy-6-methyl-4,8-dioxo-2-[(trimethylazaniumyl)methyl]oxocane-3-carboxylate Traditional Name: 6-hydroxy-4,8-diketo-6-methyl-2-[(trimethylammonio)methyl]oxocane-3-carboxylate Formula: C13H21NO6 MolecularWeight: 287.30894

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(OC(=O)C1)C[N+](C)(C)C)C(=O)[O-])O

Isomeric SMILES

CC1(CC(=O)C(C(OC(=O)C1)C[N+](C)(C)C)C(=O)[O-])O

InChI

InChI=1S/C13H21NO6/c1-13(19)5-8(15)11(12(17)18)9(7-14(2,3)4)20-10(16)6-13/h9,11,19H,5-7H2,1-4H3