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

Systemtic Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C18H21N6O2S2+ MolecularWeight: 417.52834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C18H20N6O2S2/c25-16(24-9-7-23(8-10-24)15-5-1-2-6-19-15)13-27-18-22-21-17(28-18)20-12-14-4-3-11-26-14/h1-6,11H,7-10,12-13H2,(H,20,21)/p+1