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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-pyrimidylthio)ethanone Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C17H20N4OS/c22-16(14-23-17-18-7-4-8-19-17)21-11-9-20(10-12-21)13-15-5-2-1-3-6-15/h1-8H,9-14H2/p+1