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

Systemtic Name: (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Openeye Name: (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid CAS Name: (3S,4R)-4-(2,3-dimethylphenoxy)-3-piperidinol; sulfuric acid IUPAC Name: (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Traditional Name: (3S,4R)-4-(2,3-dimethylphenoxy)piperidin-3-ol; sulfuric acid Formula: C26H40N2O8S MolecularWeight: 540.6694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC2CCNCC2O)C.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.CC1=C(C(=CC=C1)O[C@@H]2CCNC[C@@H]2O)C.OS(=O)(=O)O

InChI

InChI=1S/2C13H19NO2.H2O4S/c2*1-9-4-3-5-12(10(9)2)16-13-6-7-14-8-11(13)15;1-5(2,3)4/h2*3-5,11,13-15H,6-8H2,1-2H3;(H2,1,2,3,4)/t2*11-,13+;/m00./s1