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

Systemtic Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonylphenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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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+]3CCCCC3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCCCC3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-12-17(2)14-23(13-16)27(25,26)19-8-6-18(7-9-19)21-20(24)15-22-10-4-3-5-11-22/h6-9,16-17H,3-5,10-15H2,1-2H3,(H,21,24)/p+1/t16-,17-/m1/s1