[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methyl-amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[[5-(4-chlorophenyl)-2-furanyl]methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[[5-(4-chlorophenyl)-2-furyl]methyl-methyl-amino]-2-keto-ethyl] ester Formula: C20H17ClN2O5 MolecularWeight: 400.81238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C20H17ClN2O5/c1-22(19(24)13-27-20(25)15-8-10-23(26)11-9-15)12-17-6-7-18(28-17)14-2-4-16(21)5-3-14/h2-11H,12-13H2,1H3