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

Systemtic Name: 1-[2-(2-oxidanidyl-1,3-benzoxazol-6-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxoethyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[2-(2-oxido-1,3-benzoxazol-6-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-oxido-1,3-benzoxazol-6-yl)ethyl]piperidin-1-ium-4-carboxylate Formula: C15H15N2O5- MolecularWeight: 303.29

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)N=C(O3)[O-]

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC(=O)C2=CC3=C(C=C2)N=C(O3)[O-]

InChI

InChI=1S/C15H16N2O5/c18-12(8-17-5-3-9(4-6-17)14(19)20)10-1-2-11-13(7-10)22-15(21)16-11/h1-2,7,9H,3-6,8H2,(H,16,21)(H,19,20)/p-1