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

Systemtic Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[[4-(3-methylphenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[[4-(3-methylphenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[[4-(m-tolyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C18H21N4O2S+ MolecularWeight: 357.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C18H20N4O2S/c1-14-4-2-5-15(12-14)21-9-7-20(8-10-21)13-22-18(23)24-17(19-22)16-6-3-11-25-16/h2-6,11-12H,7-10,13H2,1H3/p+1