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

Systemtic Name: 5-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]propyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=NC(=NO2)C3=CC=CC=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H25N5OS/c1-2-7-18(8-3-1)23-25-21(29-26-23)11-6-12-27-13-15-28(16-14-27)17-22-24-19-9-4-5-10-20(19)30-22/h1-5,7-10H,6,11-17H2/p+1