1-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[2-(4-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-keto-4-methyl-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-4-carboxylate Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)COC2=C1C=C(C=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CN1C(=O)COC2=C1C=C(C=C2)C(=O)C[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-18-13-8-12(2-3-15(13)24-10-16(18)21)14(20)9-19-6-4-11(5-7-19)17(22)23/h2-3,8,11H,4-7,9-10H2,1H3,(H,22,23)