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

Systemtic Name: [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone CAS Name: [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-(3-pyridinyl)methanone IUPAC Name: [4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-(3-pyridyl)methanone Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2/c1-15-4-6-16(7-5-15)19-22-18(27-23-19)14-24-9-11-25(12-10-24)20(26)17-3-2-8-21-13-17/h2-8,13H,9-12,14H2,1H3/p+1