N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-piperidin-1-ium-1-yl-acetamide Formula: C14H20ClN2O3S+ MolecularWeight: 331.8382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O3S/c1-21(19,20)11-5-6-12(15)13(9-11)16-14(18)10-17-7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)/p+1