[(1S,2S,3S,6R)-3-bromanyl-2,6-bis(oxidanyl)cyclohexyl]-dibutyl-azanium

Systemtic Name: [(1S,2S,3S,6R)-3-bromanyl-2,6-bis(oxidanyl)cyclohexyl]-dibutyl-azanium Openeye Name: [(1S,2S,3S,6R)-3-bromo-2,6-dihydroxy-cyclohexyl]-dibutyl-ammonium CAS Name: [(1S,2S,3S,6R)-3-bromo-2,6-dihydroxycyclohexyl]-dibutylammonium IUPAC Name: [(1S,2S,3S,6R)-3-bromo-2,6-dihydroxycyclohexyl]-dibutylazanium Traditional Name: [(1S,2S,3S,6R)-3-bromo-2,6-dihydroxy-cyclohexyl]-dibutyl-ammonium Formula: C14H29BrNO2+ MolecularWeight: 323.28956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)C1C(CCC(C1O)Br)O

Isomeric SMILES

CCCC[NH+](CCCC)[C@H]1[C@@H](CC[C@@H]([C@H]1O)Br)O

InChI

InChI=1S/C14H28BrNO2/c1-3-5-9-16(10-6-4-2)13-12(17)8-7-11(15)14(13)18/h11-14,17-18H,3-10H2,1-2H3/p+1/t11-,12+,13-,14+/m0/s1