(6Z)-2-methyl-4,8-bis(oxidanylidene)-2-[(trimethylazaniumyl)methyl]-3,5-dihydrooxocine-3-carboxylate

Systemtic Name: (6Z)-2-methyl-4,8-bis(oxidanylidene)-2-[(trimethylazaniumyl)methyl]-3,5-dihydrooxocine-3-carboxylate Openeye Name: (6Z)-2-methyl-4,8-dioxo-2-[(trimethylammonio)methyl]-3,5-dihydrooxocine-3-carboxylate CAS Name: (6Z)-2-methyl-4,8-dioxo-2-[(trimethylammonio)methyl]-3,5-dihydrooxocin-3-carboxylate IUPAC Name: (6Z)-2-methyl-4,8-dioxo-2-[(trimethylazaniumyl)methyl]-3,5-dihydrooxocine-3-carboxylate Traditional Name: (6Z)-4,8-diketo-2-methyl-2-[(trimethylammonio)methyl]-3,5-dihydrooxocin-3-carboxylate Formula: C13H19NO5 MolecularWeight: 269.29366

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(=O)CC=CC(=O)O1)C(=O)[O-])C[N+](C)(C)C

Isomeric SMILES

CC1(C(C(=O)C/C=C\C(=O)O1)C(=O)[O-])C[N+](C)(C)C

InChI

InChI=1S/C13H19NO5/c1-13(8-14(2,3)4)11(12(17)18)9(15)6-5-7-10(16)19-13/h5,7,11H,6,8H2,1-4H3/b7-5-