2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4,5-dihydrothiazol-2-ylsulfanyl)ethanone CAS Name: 2-(4,5-dihydrothiazol-2-ylthio)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-thiazolin-2-ylthio)ethanone Formula: C22H26N3OS2+ MolecularWeight: 412.59134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSC(=N1)SCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS2/c26-20(17-28-22-23-11-16-27-22)24-12-14-25(15-13-24)21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,21H,11-17H2/p+1