[(6S,7R)-3-methyl-2-phenyl-7-phenylmethoxy-5-(phenylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate

Systemtic Name: [(6S,7R)-3-methyl-2-phenyl-7-phenylmethoxy-5-(phenylsulfonyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate Openeye Name: [(6S,7R)-5-(benzenesulfonyl)-7-benzyloxy-3-methyl-2-phenyl-6,7-dihydro-4H-oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate CAS Name: [(6S,7R)-5-(benzenesulfonyl)-3-methyl-2-phenyl-7-phenylmethoxy-6,7-dihydro-4H-oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate IUPAC Name: [(6S,7R)-5-(benzenesulfonyl)-3-methyl-2-phenyl-7-phenylmethoxy-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate Traditional Name: [(6S,7R)-7-benzoxy-5-besyl-3-methyl-2-phenyl-6,7-dihydro-4H-oxazolo[4,5-c]pyridin-3-ium-6-yl]methanol; methyl sulfate Formula: C28H30N2O9S2 MolecularWeight: 602.6758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(OC2=C1CN(C(C2OCC3=CC=CC=C3)CO)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(OC2=C1CN([C@H]([C@H]2OCC3=CC=CC=C3)CO)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H27N2O5S.CH4O4S/c1-28-23-17-29(35(31,32)22-15-9-4-10-16-22)24(18-30)25(33-19-20-11-5-2-6-12-20)26(23)34-27(28)21-13-7-3-8-14-21;1-5-6(2,3)4/h2-16,24-25,30H,17-19H2,1H3;1H3,(H,2,3,4)/q+1;/p-1/t24-,25+;/m0./s1