2-[4-[2-(3-chloranylpyridin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3-chloranylpyridin-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-[(3-chloro-2-pyridyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-[(3-chloro-2-pyridinyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-chloropyridin-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-[(3-chloro-2-pyridyl)thio]acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C21H26ClN4O2S+ MolecularWeight: 433.97474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2S/c1-2-16-6-3-4-8-18(16)24-19(27)14-25-10-12-26(13-11-25)20(28)15-29-21-17(22)7-5-9-23-21/h3-9H,2,10-15H2,1H3,(H,24,27)/p+1