2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)piperazin-4-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)piperazin-4-ium-1-yl]ethanol Openeye Name: 2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)piperazin-4-ium-1-yl]ethanol CAS Name: 2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)-1-piperazin-4-iumyl]ethanol IUPAC Name: 2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)piperazin-4-ium-1-yl]ethanol Traditional Name: 2-[4-(2,3-diphenyl-1,2,4-thiadiazol-5-ylidene)piperazin-4-ium-1-yl]ethanol Formula: C20H23N4OS+ MolecularWeight: 367.48782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4)CCN1CCO

Isomeric SMILES

C1C[N+](=C2N=C(N(S2)C3=CC=CC=C3)C4=CC=CC=C4)CCN1CCO

InChI

InChI=1S/C20H23N4OS/c25-16-15-22-11-13-23(14-12-22)20-21-19(17-7-3-1-4-8-17)24(26-20)18-9-5-2-6-10-18/h1-10,25H,11-16H2/q+1