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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(N(C(=O)C(S1)(C)C)[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3)C

Isomeric SMILES

CCCCC1(N(C(=O)C(S1)(C)C)[N+]2(CCNCC2)C3=C4C=CC=CC4=NN3)C

InChI

InChI=1S/C21H32N5OS/c1-5-6-11-21(4)25(19(27)20(2,3)28-21)26(14-12-22-13-15-26)18-16-9-7-8-10-17(16)23-24-18/h7-10,22H,5-6,11-15H2,1-4H3,(H,23,24)/q+1