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

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

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)N=C(O2)[O-])[NH+]3CCC[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C16H18N2O5/c1-9(18-6-2-3-11(8-18)15(20)21)14(19)10-4-5-12-13(7-10)23-16(22)17-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,17,22)(H,20,21)/p-1/t9-,11+/m0/s1