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

Systemtic Name: (3R)-1-[(2R)-1-oxidanylidene-1-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1R)-1-methyl-2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2R)-1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2R)-1-oxo-1-(3-oxo-4H-1,4-benzoxazin-6-yl)propan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1R)-2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)-1-methyl-ethyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2)[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10(19-6-2-3-12(8-19)17(22)23)16(21)11-4-5-14-13(7-11)18-15(20)9-24-14/h4-5,7,10,12H,2-3,6,8-9H2,1H3,(H,18,20)(H,22,23)/t10-,12-/m1/s1