3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one CAS Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Formula: C22H22N5O3S+ MolecularWeight: 436.50678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)OC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)OC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O3S/c28-20(15-27-22(29)30-21(24-27)16-6-2-1-3-7-16)26-12-10-25(11-13-26)14-19-23-17-8-4-5-9-18(17)31-19/h1-9H,10-15H2/p+1