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

Systemtic Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Openeye Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole CAS Name: 5-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]propyl]-3-phenyl-1,2,4-oxadiazole IUPAC Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Traditional Name: 5-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propyl]-3-phenyl-1,2,4-oxadiazole Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CCCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N4OS/c1-2-7-17(8-3-1)22-25-21(28-26-22)11-6-14-27-15-12-18(13-16-27)23-24-19-9-4-5-10-20(19)29-23/h1-5,7-10,18H,6,11-16H2/p+1