[2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(4-ethoxy-3-methoxy-phenyl)methyl-ethyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[(4-ethoxy-3-methoxy-benzyl)-ethyl-amino]-2-keto-ethyl] ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OCC)OC)C(=O)COC(=O)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C20H24N2O6/c1-4-21(13-15-9-10-17(27-5-2)18(12-15)26-3)19(23)14-28-20(24)16-8-6-7-11-22(16)25/h6-12H,4-5,13-14H2,1-3H3