N-(4-methylsulfonylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-methylsulfonylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(4-methylsulfonylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(4-methylsulfonylphenyl)-2-(4-phenethyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-(4-methylsulfonylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(4-mesylphenyl)-2-(4-phenethylpiperidin-1-ium-1-yl)acetamide Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-28(26,27)21-11-9-20(10-12-21)23-22(25)17-24-15-13-19(14-16-24)8-7-18-5-3-2-4-6-18/h2-6,9-12,19H,7-8,13-17H2,1H3,(H,23,25)/p+1