(3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid

Systemtic Name: (3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Openeye Name: (3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid CAS Name: (3R,4S)-4-(2,3-dimethylphenoxy)-3-piperidinol; sulfuric acid IUPAC Name: (3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Traditional Name: (3R,4S)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Formula: C13H21NO6S MolecularWeight: 319.37394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCNCC2O)C.OS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)O[C@H]2CCNC[C@H]2O)C.OS(=O)(=O)O

InChI

InChI=1S/C13H19NO2.H2O4S/c1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15;1-5(2,3)4/h3-5,11,13-15H,6-8H2,1-2H3;(H2,1,2,3,4)/t11-,13+;/m1./s1