N-(2-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[2-(methylthio)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[2-(methylthio)phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C14H20N2OS/c1-18-13-8-4-3-7-12(13)15-14(17)11-16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,15,17)/p+1