[(1R)-1-(2,5-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxy-ethyl]azanium

Systemtic Name: [(1R)-1-(2,5-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxy-ethyl]azanium Openeye Name: [(1R)-2-[(1S)-1,3-dimethylbutoxy]-1-(2,5-dimethylphenyl)ethyl]ammonium CAS Name: [(1R)-1-(2,5-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxyethyl]ammonium IUPAC Name: [(1R)-1-(2,5-dimethylphenyl)-2-[(2S)-4-methylpentan-2-yl]oxyethyl]azanium Traditional Name: [(1R)-2-[(1S)-1,3-dimethylbutoxy]-1-(2,5-dimethylphenyl)ethyl]ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(COC(C)CC(C)C)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CO[C@@H](C)CC(C)C)[NH3+]

InChI

InChI=1S/C16H27NO/c1-11(2)8-14(5)18-10-16(17)15-9-12(3)6-7-13(15)4/h6-7,9,11,14,16H,8,10,17H2,1-5H3/p+1/t14-,16-/m0/s1