1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]ethanone Formula: C18H28N5OS2+ MolecularWeight: 394.57782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NN=C(S5)N

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NN=C(S5)N

InChI

InChI=1S/C18H27N5OS2/c19-16-20-21-17(26-16)25-11-15(24)22-1-3-23(4-2-22)18-8-12-5-13(9-18)7-14(6-12)10-18/h12-14H,1-11H2,(H2,19,20)/p+1