[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl] ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)OC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H17NO4/c1-12(23-18(21)14-7-9-19(22)10-8-14)17(20)16-6-5-13-3-2-4-15(13)11-16/h5-12H,2-4H2,1H3/t12-/m1/s1