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

Systemtic Name: 2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazin-4-iumyl]-1,3-benzoxazole IUPAC Name: 2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-4-ium-1-yl]-1,3-benzoxazole Formula: C18H18N5O2S+ MolecularWeight: 368.43282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CS3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C18H17N5O2S/c1-2-5-14-13(4-1)19-18(24-14)23-9-7-22(8-10-23)12-16-20-17(21-25-16)15-6-3-11-26-15/h1-6,11H,7-10,12H2/p+1