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

Systemtic Name: 3-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-2,5,5-trimethyl-1,3-thiazolidin-4-one Openeye Name: 3-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-2,5,5-trimethyl-thiazolidin-4-one CAS Name: 3-[4-[1-(2H-indazol-3-yl)-1-piperazin-1-iumyl]butyl]-2,5,5-trimethyl-4-thiazolidinone IUPAC Name: 3-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-2,5,5-trimethyl-1,3-thiazolidin-4-one Traditional Name: 3-[4-[1-(2H-indazol-3-yl)piperazin-1-ium-1-yl]butyl]-2,5,5-trimethyl-thiazolidin-4-one Formula: C21H32N5OS+ MolecularWeight: 402.57668

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C(=O)C(S1)(C)C)CCCC[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3

Isomeric SMILES

CC1N(C(=O)C(S1)(C)C)CCCC[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3

InChI

InChI=1S/C21H32N5OS/c1-16-25(20(27)21(2,3)28-16)12-6-7-13-26(14-10-22-11-15-26)19-17-8-4-5-9-18(17)23-24-19/h4-5,8-9,16,22H,6-7,10-15H2,1-3H3,(H,23,24)/q+1