5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]methyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole Formula: C21H22N5OS+ MolecularWeight: 392.49728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N5OS/c1-2-6-16(7-3-1)21-23-19(27-24-21)14-25-10-12-26(13-11-25)15-20-22-17-8-4-5-9-18(17)28-20/h1-9H,10-15H2/p+1