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

Systemtic Name: N-(3-methylsulfonylphenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(3-mesylphenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C14H21N2O3S+ MolecularWeight: 297.39314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O3S/c1-20(18,19)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