N-(4-methylphenyl)-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(p-tolyl)-2-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-methylphenyl)-2-[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(p-tolyl)-2-[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-ium-1-yl]acetamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H23N5O2S/c1-15-2-4-17(5-3-15)21-18(26)12-24-7-9-25(10-8-24)13-19-22-20(23-27-19)16-6-11-28-14-16/h2-6,11,14H,7-10,12-13H2,1H3,(H,21,26)/p+1