(1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[(2-bromophenyl)methoxy]cyclohexane-1,2-diol

Systemtic Name: (1S,2R,3R,4S,6R)-4,6-bis(azanyl)-3-[(2-bromophenyl)methoxy]cyclohexane-1,2-diol Openeye Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[(2-bromophenyl)methoxy]cyclohexane-1,2-diol CAS Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[(2-bromophenyl)methoxy]cyclohexane-1,2-diol IUPAC Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-[(2-bromophenyl)methoxy]cyclohexane-1,2-diol Traditional Name: (1S,2R,3R,4S,6R)-4,6-diamino-3-(2-bromobenzyl)oxy-cyclohexane-1,2-diol Formula: C13H19BrN2O3 MolecularWeight: 331.20556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCC2=CC=CC=C2Br)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCC2=CC=CC=C2Br)O)O)N

InChI

InChI=1S/C13H19BrN2O3/c14-8-4-2-1-3-7(8)6-19-13-10(16)5-9(15)11(17)12(13)18/h1-4,9-13,17-18H,5-6,15-16H2/t9-,10+,11+,12-,13-/m1/s1