N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-oxidanyl-3-phenyl-propyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-oxidanyl-3-phenyl-propyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-ethyl-N-[1-(3-hydroxy-3-phenyl-propyl)piperidin-1-ium-1-yl]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-ethyl-N-[1-(3-hydroxy-3-phenylpropyl)-1-piperidin-1-iumyl]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-ethyl-N-[1-(3-hydroxy-3-phenylpropyl)piperidin-1-ium-1-yl]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-ethyl-N-[1-(3-hydroxy-3-phenyl-propyl)piperidin-1-ium-1-yl]-2-(4-mesylphenyl)acetamide Formula: C25H35N2O4S+ MolecularWeight: 459.6214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)[N+]2(CCCCC2)CCC(C3=CC=CC=C3)O

Isomeric SMILES

CCN(C(=O)CC1=CC=C(C=C1)S(=O)(=O)C)[N+]2(CCCCC2)CCC(C3=CC=CC=C3)O

InChI

InChI=1S/C25H35N2O4S/c1-3-26(25(29)20-21-12-14-23(15-13-21)32(2,30)31)27(17-8-5-9-18-27)19-16-24(28)22-10-6-4-7-11-22/h4,6-7,10-15,24,28H,3,5,8-9,16-20H2,1-2H3/q+1