methyl 4-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate Openeye Name: methyl 4-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate CAS Name: 4-[[5-[oxo-[2-(1-piperidin-1-iumyl)ethylamino]methyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate Traditional Name: 4-[[5-(2-piperidin-1-ium-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoic acid methyl ester Formula: C19H25N4O5+ MolecularWeight: 389.4256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCC2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCC2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O5/c1-26-19(25)14-5-7-15(8-6-14)27-13-16-21-18(28-22-16)17(24)20-9-12-23-10-3-2-4-11-23/h5-8H,2-4,9-13H2,1H3,(H,20,24)/p+1