[(1S,5S)-2,3-dideuterio-5-oxidanyl-cyclopentyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [(1S,5S)-2,3-dideuterio-5-oxidanyl-cyclopentyl]azanium; 4-methylbenzenesulfonate Openeye Name: [(1S,5S)-2,3-dideuterio-5-hydroxy-cyclopentyl]ammonium; 4-methylbenzenesulfonate CAS Name: [(1S,5S)-2,3-dideuterio-5-hydroxycyclopentyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [(1S,5S)-2,3-dideuterio-5-hydroxycyclopentyl]azanium; 4-methylbenzenesulfonate Traditional Name: [(1S,5S)-2,3-dideuterio-5-hydroxy-cyclopentyl]ammonium tosylate Formula: C12H19NO4S MolecularWeight: 275.360884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC(C(C1)O)[NH3+]

Isomeric SMILES

[2H]C1C[C@@H]([C@H](C1[2H])[NH3+])O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H8O3S.C5H11NO/c1-6-2-4-7(5-3-6)11(8,9)10;6-4-2-1-3-5(4)7/h2-5H,1H3,(H,8,9,10);4-5,7H,1-3,6H2/t;4-,5-/m.0/s1/i;1D,2D/t;1?,2?,4-,5-