N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-methylsulfonyl-phenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-methylsulfonyl-phenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(4-phenethyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-methylsulfonylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-mesyl-phenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide Formula: C22H28ClN2O3S+ MolecularWeight: 435.98732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CCC(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3S/c1-29(27,28)19-9-10-20(23)21(15-19)24-22(26)16-25-13-11-18(12-14-25)8-7-17-5-3-2-4-6-17/h2-6,9-10,15,18H,7-8,11-14,16H2,1H3,(H,24,26)/p+1