1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-pyridylthio)ethanone Formula: C24H26N3OS+ MolecularWeight: 404.54774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C24H25N3OS/c28-23(19-29-22-13-7-8-14-25-22)26-15-17-27(18-16-26)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24H,15-19H2/p+1