2-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one

Systemtic Name: 2-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one Openeye Name: 2-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-5-methyl-thiazolidin-4-one CAS Name: 2-[4-[1-(2H-indazol-3-yl)-1-piperazin-1-iumyl]butyl]-5-methyl-4-thiazolidinone IUPAC Name: 2-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one Traditional Name: 2-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-5-methyl-thiazolidin-4-one Formula: C19H28N5OS+ MolecularWeight: 374.52352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC(S1)CCCC[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3

Isomeric SMILES

CC1C(=O)NC(S1)CCCC[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3

InChI

InChI=1S/C19H27N5OS/c1-14-19(25)21-17(26-14)8-4-5-11-24(12-9-20-10-13-24)18-15-6-2-3-7-16(15)22-23-18/h2-3,6-7,14,17,20H,4-5,8-13H2,1H3,(H-,21,22,23,25)/p+1