(3S,4S)-1-(phenylsulfonyl)-4-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidin-3-ol

Systemtic Name: (3S,4S)-1-(phenylsulfonyl)-4-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidin-3-ol Openeye Name: (3S,4S)-1-(benzenesulfonyl)-4-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidin-3-ol CAS Name: (3S,4S)-1-(benzenesulfonyl)-4-(4-pyridin-4-yl-1-piperidin-1-iumyl)-3-pyrrolidinol IUPAC Name: (3S,4S)-1-(benzenesulfonyl)-4-(4-pyridin-4-ylpiperidin-1-ium-1-yl)pyrrolidin-3-ol Traditional Name: (3S,4S)-1-besyl-4-[4-(4-pyridyl)piperidin-1-ium-1-yl]pyrrolidin-3-ol Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=CC=NC=C2)C3CN(CC3O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C2=CC=NC=C2)[C@H]3CN(C[C@@H]3O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N3O3S/c24-20-15-23(27(25,26)18-4-2-1-3-5-18)14-19(20)22-12-8-17(9-13-22)16-6-10-21-11-7-16/h1-7,10-11,17,19-20,24H,8-9,12-15H2/p+1/t19-,20-/m0/s1