6-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[[4-(4-acetylphenyl)-1-piperazin-1-iumyl]methyl]-2-(methylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-methylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-[[4-(4-acetylphenyl)piperazin-1-ium-1-yl]methyl]-2-(methylthio)-1H-pyrimidin-4-one Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)N=C(N3)SC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=O)N=C(N3)SC

InChI

InChI=1S/C18H22N4O2S/c1-13(23)14-3-5-16(6-4-14)22-9-7-21(8-10-22)12-15-11-17(24)20-18(19-15)25-2/h3-6,11H,7-10,12H2,1-2H3,(H,19,20,24)/p+1