N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-2-ylsulfanylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-pyridylsulfanyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-pyridinylthio)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-pyridin-2-ylsulfanylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-pyridylthio)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C21H26N4O2S/c1-16-6-5-7-17(2)21(16)23-18(26)14-24-10-12-25(13-11-24)20(27)15-28-19-8-3-4-9-22-19/h3-9H,10-15H2,1-2H3,(H,23,26)/p+1