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

Systemtic Name: 1-[(2S)-1-(2-oxidanidyl-1,3-benzoxazol-6-yl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(2-oxido-1,3-benzoxazol-6-yl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(2-oxido-1,3-benzoxazol-6-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(2-oxido-1,3-benzoxazol-6-yl)ethyl]piperidin-1-ium-4-carboxylate Formula: C16H17N2O5- MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N=C(O2)[O-])[NH+]3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N=C(O2)[O-])[NH+]3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-9(18-6-4-10(5-7-18)15(20)21)14(19)11-2-3-12-13(8-11)23-16(22)17-12/h2-3,8-10H,4-7H2,1H3,(H,17,22)(H,20,21)/p-1/t9-/m0/s1