3-[(2-methyl-4-oxidanylidene-pyran-3-yl)oxymethyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide

Systemtic Name: 3-[(2-methyl-4-oxidanylidene-pyran-3-yl)oxymethyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-[(2-methyl-4-oxo-pyran-3-yl)oxymethyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[(2-methyl-4-oxo-3-pyranyl)oxymethyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-[(2-methyl-4-oxopyran-3-yl)oxymethyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[(4-keto-2-methyl-pyran-3-yl)oxymethyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C17H23N4O5+ MolecularWeight: 363.38832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OCC2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=O)C=CO1)OCC2=NOC(=N2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C17H22N4O5/c1-12-15(13(22)5-10-24-12)25-11-14-19-17(26-20-14)16(23)18-6-9-21-7-3-2-4-8-21/h5,10H,2-4,6-9,11H2,1H3,(H,18,23)/p+1