(3S,4S)-1-(phenylsulfonyl)-4-[4-(pyridin-3-ylmethoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-(phenylsulfonyl)-4-[4-(pyridin-3-ylmethoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(3-pyridylmethoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(3-pyridinylmethoxy)-1-piperidin-1-iumyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(pyridin-3-ylmethoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol Traditional Name: (3S,4S)-1-besyl-4-[4-(3-pyridylmethoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OCC2=CN=CC=C2)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OCC2=CN=CC=C2)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O4S/c25-21-15-24(29(26,27)19-6-2-1-3-7-19)14-20(21)23-11-8-18(9-12-23)28-16-17-5-4-10-22-13-17/h1-7,10,13,18,20-21,25H,8-9,11-12,14-16H2/p+1/t20-,21-/m0/s1