N-(3-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-(methylthio)phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-(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(=C1)NC(=O)C[NH+]2CCCCC2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCCCC2

InChI

InChI=1S/C14H20N2OS/c1-18-13-7-5-6-12(10-13)15-14(17)11-16-8-3-2-4-9-16/h5-7,10H,2-4,8-9,11H2,1H3,(H,15,17)/p+1