2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C22H29N5O2S/c1-4-18-7-5-6-8-19(18)25-20(28)14-26-9-11-27(12-10-26)21(29)15-30-22-23-16(2)13-17(3)24-22/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,25,28)/p+1