[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

C[C@H](C1=C(C=CC(=C1)OC)OC)NC(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C18H20N2O6/c1-12(14-10-13(24-2)7-8-16(14)25-3)19-17(21)11-26-18(22)15-6-4-5-9-20(15)23/h4-10,12H,11H2,1-3H3,(H,19,21)/t12-/m1/s1