3-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Openeye Name: 3-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one CAS Name: 3-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one Traditional Name: 3-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]-5-(2-thienyl)-1,3,4-oxadiazol-2-one Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCN3C(=O)OC(=N3)C4=CC=CS4

InChI

InChI=1S/C19H21N5O3S/c25-17(5-8-24-19(26)27-18(21-24)16-2-1-13-28-16)23-11-9-22(10-12-23)14-15-3-6-20-7-4-15/h1-4,6-7,13H,5,8-12,14H2/p+1