[(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethyl-cyclohexyl]azanium

Systemtic Name: [(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethyl-cyclohexyl]azanium Openeye Name: [(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethyl-cyclohexyl]ammonium CAS Name: [(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]ammonium IUPAC Name: [(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethylcyclohexyl]azanium Traditional Name: [(1S,2S,4S)-2-(2,3-dimethylphenoxy)-4-ethyl-cyclohexyl]ammonium Formula: C16H26NO+ MolecularWeight: 248.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C(C1)OC2=CC=CC(=C2C)C)[NH3+]

Isomeric SMILES

CC[C@H]1CC[C@@H]([C@H](C1)OC2=CC=CC(=C2C)C)[NH3+]

InChI

InChI=1S/C16H25NO/c1-4-13-8-9-14(17)16(10-13)18-15-7-5-6-11(2)12(15)3/h5-7,13-14,16H,4,8-10,17H2,1-3H3/p+1/t13-,14-,16-/m0/s1