(3S,4S)-4-[4-(2-methoxyphenoxy)piperidin-1-ium-1-yl]-1-(phenylsulfonyl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-4-[4-(2-methoxyphenoxy)piperidin-1-ium-1-yl]-1-(phenylsulfonyl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(2-methoxyphenoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(2-methoxyphenoxy)-1-piperidin-1-iumyl]-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(2-methoxyphenoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol Traditional Name: (3S,4S)-1-besyl-4-[4-(2-methoxyphenoxy)piperidin-1-ium-1-yl]pyrrolidin-3-ol Formula: C22H29N2O5S+ MolecularWeight: 433.54106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2CC[NH+](CC2)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1OC2CC[NH+](CC2)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H28N2O5S/c1-28-21-9-5-6-10-22(21)29-17-11-13-23(14-12-17)19-15-24(16-20(19)25)30(26,27)18-7-3-2-4-8-18/h2-10,17,19-20,25H,11-16H2,1H3/p+1/t19-,20-/m0/s1