2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(isobutylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C17H25N6OS2+ MolecularWeight: 393.55

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)CNC1=NN=C(S1)SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H24N6OS2/c1-13(2)11-19-16-20-21-17(26-16)25-12-15(24)23-9-7-22(8-10-23)14-5-3-4-6-18-14/h3-6,13H,7-12H2,1-2H3,(H,19,20)/p+1