3-(2-methylphenyl)-5-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(2-methylphenyl)-5-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 5-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 3-(2-methylphenyl)-5-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-(2-methylphenyl)-5-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 5-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C19H22N5O+ MolecularWeight: 336.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)C3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C19H21N5O/c1-14-5-3-4-6-16(14)18-21-19(25-22-18)15-7-8-17(20-13-15)24-11-9-23(2)10-12-24/h3-8,13H,9-12H2,1-2H3/p+1