(3S)-1-[2-(2-oxidanidyl-1,3-benzoxazol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[2-(2-oxidanidyl-1,3-benzoxazol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(2-oxido-1,3-benzoxazol-6-yl)ethyl]piperidin-1-ium-3-carboxylate Formula: C15H15N2O5- MolecularWeight: 303.29

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)C2=CC3=C(C=C2)N=C(O3)[O-])C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)C2=CC3=C(C=C2)N=C(O3)[O-])C(=O)[O-]

InChI

InChI=1S/C15H16N2O5/c18-12(8-17-5-1-2-10(7-17)14(19)20)9-3-4-11-13(6-9)22-15(21)16-11/h3-4,6,10H,1-2,5,7-8H2,(H,16,21)(H,19,20)/p-1/t10-/m0/s1