methyl-(1,2-oxazol-3-ylmethyl)-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium

Systemtic Name: methyl-(1,2-oxazol-3-ylmethyl)-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-(isoxazol-3-ylmethyl)-methyl-ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-(3-isoxazolylmethyl)-methylammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(1,2-oxazol-3-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-(isoxazol-3-ylmethyl)-methyl-ammonium Formula: C15H20N3O4S+ MolecularWeight: 338.402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC=C1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=NOC=C1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H19N3O4S/c1-17(9-12-7-8-22-16-12)14-10-18(11-15(14)19)23(20,21)13-5-3-2-4-6-13/h2-8,14-15,19H,9-11H2,1H3/p+1/t14-,15-/m0/s1