[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[(1R)-1-(2-benzofuranyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[(1R)-1-(benzofuran-2-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C1=CC2=CC=CC=C2O1)NC(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H16N2O5/c1-12(16-10-14-4-2-3-5-15(14)25-16)19-17(21)11-24-18(22)13-6-8-20(23)9-7-13/h2-10,12H,11H2,1H3,(H,19,21)/t12-/m1/s1