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

Systemtic Name: N-(4-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methylsulfanylphenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-(methylthio)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylsulfanylphenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[4-(methylthio)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H23N4OS+ MolecularWeight: 343.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4OS/c1-24-16-7-5-15(6-8-16)20-18(23)14-21-10-12-22(13-11-21)17-4-2-3-9-19-17/h2-9H,10-14H2,1H3,(H,20,23)/p+1