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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10(19-6-4-11(5-7-19)17(22)23)16(21)12-2-3-14-13(8-12)18-15(20)9-24-14/h2-3,8,10-11H,4-7,9H2,1H3,(H,18,20)(H,22,23)/t10-/m0/s1