N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-oxidanylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-(4-hydroxy-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Traditional Name: N-[4-[(3S,5S)-3,5-dimethylpiperidino]sulfonylphenyl]-2-(4-hydroxypiperidin-1-ium-1-yl)acetamide Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O)C

Isomeric SMILES

C[C@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C20H31N3O4S/c1-15-11-16(2)13-23(12-15)28(26,27)19-5-3-17(4-6-19)21-20(25)14-22-9-7-18(24)8-10-22/h3-6,15-16,18,24H,7-14H2,1-2H3,(H,21,25)/p+1/t15-,16-/m0/s1