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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c19-13(8-18-5-1-2-11(7-18)16(21)22)10-3-4-14-12(6-10)17-15(20)9-23-14/h3-4,6,11H,1-2,5,7-9H2,(H,17,20)(H,21,22)/t11-/m0/s1