[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ammonium IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium Traditional Name: [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-propyl-[[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C20H26N7O2S+ MolecularWeight: 428.53114

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCC[NH+](CC1=NN=C(O1)C2=CC=CS2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N7O2S/c1-2-8-25(14-17-23-24-19(29-17)16-5-3-13-30-16)15-18(28)26-9-11-27(12-10-26)20-21-6-4-7-22-20/h3-7,13H,2,8-12,14-15H2,1H3/p+1