2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 2-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]nicotinamide Formula: C20H23N6O2+ MolecularWeight: 379.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=C(C=CC=N4)C(=O)N

InChI

InChI=1S/C20H22N6O2/c1-14-4-6-15(7-5-14)19-23-17(28-24-19)13-25-9-11-26(12-10-25)20-16(18(21)27)3-2-8-22-20/h2-8H,9-13H2,1H3,(H2,21,27)/p+1