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

Systemtic Name: [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N4O2S/c23-18(15-7-4-12-25-15)22-10-8-21(9-11-22)13-16-19-17(20-24-16)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2/p+1