methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium sulfate

Systemtic Name: methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium sulfate Openeye Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium sulfate CAS Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylammonium sulfate IUPAC Name: [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium sulfate Traditional Name: [(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]-methyl-ammonium sulfate Formula: C20H32N2O6S MolecularWeight: 428.54288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]C.CC(C(C1=CC=CC=C1)O)[NH2+]C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]C.C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C10H15NO.H2O4S/c2*1-8(11-2)10(12)9-6-4-3-5-7-9;1-5(2,3)4/h2*3-8,10-12H,1-2H3;(H2,1,2,3,4)/t2*8-,10-;/m11./s1