N-(3-methylsulfanylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H22N5OS+ MolecularWeight: 344.45448

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H21N5OS/c1-24-15-5-2-4-14(12-15)20-16(23)13-21-8-10-22(11-9-21)17-18-6-3-7-19-17/h2-7,12H,8-11,13H2,1H3,(H,20,23)/p+1