[(1S,2R)-2-(2-ethanoylphenoxy)cyclohexyl]-diethyl-azanium

Systemtic Name: [(1S,2R)-2-(2-ethanoylphenoxy)cyclohexyl]-diethyl-azanium Openeye Name: [(1S,2R)-2-(2-acetylphenoxy)cyclohexyl]-diethyl-ammonium CAS Name: [(1S,2R)-2-(2-acetylphenoxy)cyclohexyl]-diethylammonium IUPAC Name: [(1S,2R)-2-(2-acetylphenoxy)cyclohexyl]-diethylazanium Traditional Name: [(1S,2R)-2-(2-acetylphenoxy)cyclohexyl]-diethyl-ammonium Formula: C18H28NO2+ MolecularWeight: 290.42042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCCCC1OC2=CC=CC=C2C(=O)C

Isomeric SMILES

CC[NH+](CC)[C@H]1CCCC[C@H]1OC2=CC=CC=C2C(=O)C

InChI

InChI=1S/C18H27NO2/c1-4-19(5-2)16-11-7-9-13-18(16)21-17-12-8-6-10-15(17)14(3)20/h6,8,10,12,16,18H,4-5,7,9,11,13H2,1-3H3/p+1/t16-,18+/m0/s1