2-(5-azanyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(5-azanyl-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(5-amino-1,3,4-thiadiazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C13H17N6OS+ MolecularWeight: 305.37868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=NN=C(S3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=NN=C(S3)N

InChI

InChI=1S/C13H16N6OS/c14-13-17-16-11(21-13)9-12(20)19-7-5-18(6-8-19)10-3-1-2-4-15-10/h1-4H,5-9H2,(H2,14,17)/p+1