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

Systemtic Name: methyl-(oxan-4-ylmethyl)-[(3S,4S)-4-oxidanyl-1-(phenylsulfonyl)pyrrolidin-3-yl]azanium Openeye Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-pyrrolidin-3-yl]-methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxy-3-pyrrolidinyl]-methyl-(4-oxanylmethyl)ammonium IUPAC Name: [(3S,4S)-1-(benzenesulfonyl)-4-hydroxypyrrolidin-3-yl]-methyl-(oxan-4-ylmethyl)azanium Traditional Name: [(3S,4S)-1-besyl-4-hydroxy-pyrrolidin-3-yl]-methyl-(tetrahydropyran-4-ylmethyl)ammonium Formula: C17H27N2O4S+ MolecularWeight: 355.47228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CCOCC1)C2CN(CC2O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1CCOCC1)[C@H]2CN(C[C@@H]2O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H26N2O4S/c1-18(11-14-7-9-23-10-8-14)16-12-19(13-17(16)20)24(21,22)15-5-3-2-4-6-15/h2-6,14,16-17,20H,7-13H2,1H3/p+1/t16-,17-/m0/s1