2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C25H32ClN6OS+ MolecularWeight: 500.07918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H31ClN6OS/c1-2-3-4-7-14-32-24(20-9-11-21(26)12-10-20)28-29-25(32)34-19-23(33)31-17-15-30(16-18-31)22-8-5-6-13-27-22/h5-6,8-13H,2-4,7,14-19H2,1H3/p+1