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

Systemtic Name: 3-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[(4-benzylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[(4-benzylpiperazin-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:

C1CN(CC[NH+]1CN2C(=O)OC(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)OC(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C18H20N4O2S/c23-18-22(19-17(24-18)16-7-4-12-25-16)14-21-10-8-20(9-11-21)13-15-5-2-1-3-6-15/h1-7,12H,8-11,13-14H2/p+1