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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-pyrimidylthio)ethanone Formula: C23H25N4OS+ MolecularWeight: 405.5358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4OS/c28-21(18-29-23-24-12-7-13-25-23)26-14-16-27(17-15-26)22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,22H,14-18H2/p+1