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

Systemtic Name: 3-[4-[(2-methyl-4-oxidanylidene-pyran-3-yl)oxymethyl]phenyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Openeye Name: 3-[4-[(2-methyl-4-oxo-pyran-3-yl)oxymethyl]phenyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide CAS Name: 3-[4-[(2-methyl-4-oxo-3-pyranyl)oxymethyl]phenyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-1,2,4-oxadiazole-5-carboxamide IUPAC Name: 3-[4-[(2-methyl-4-oxopyran-3-yl)oxymethyl]phenyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Traditional Name: 3-[4-[(4-keto-2-methyl-pyran-3-yl)oxymethyl]phenyl]-N-(2-piperidin-1-ium-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide Formula: C23H27N4O5+ MolecularWeight: 439.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CO1)OCC2=CC=C(C=C2)C3=NOC(=N3)C(=O)NCC[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=O)C=CO1)OCC2=CC=C(C=C2)C3=NOC(=N3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O5/c1-16-20(19(28)9-14-30-16)31-15-17-5-7-18(8-6-17)21-25-23(32-26-21)22(29)24-10-13-27-11-3-2-4-12-27/h5-9,14H,2-4,10-13,15H2,1H3,(H,24,29)/p+1