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

Systemtic Name: 1-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-4-carboxylate Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C16H18N2O5/c19-13(8-18-5-3-10(4-6-18)16(21)22)11-1-2-14-12(7-11)17-15(20)9-23-14/h1-2,7,10H,3-6,8-9H2,(H,17,20)(H,21,22)