5-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Openeye Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole CAS Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-3-(3-thiophenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-thiophen-3-yl-1,2,4-oxadiazole Traditional Name: 5-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-(3-thienyl)-1,2,4-oxadiazole Formula: C19H19N4OS2+ MolecularWeight: 383.51036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC(=NO2)C3=CSC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC(=NO2)C3=CSC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H18N4OS2/c1-2-6-16-15(5-1)20-19(26-16)13-4-3-8-23(10-13)11-17-21-18(22-24-17)14-7-9-25-12-14/h1-2,5-7,9,12-13H,3-4,8,10-11H2/p+1/t13-/m0/s1