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

Systemtic Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazin-4-iumyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-3-(3-thienyl)propan-1-one Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)CCC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C(=O)CCC4=CSC=C4

InChI

InChI=1S/C21H24N4O2S/c1-16-2-5-18(6-3-16)21-22-19(27-23-21)14-24-9-11-25(12-10-24)20(26)7-4-17-8-13-28-15-17/h2-3,5-6,8,13,15H,4,7,9-12,14H2,1H3/p+1