[(3S)-3-(2,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium

Systemtic Name: [(3S)-3-(2,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium Openeye Name: [(3S)-3-(2,5-dimethylphenoxy)-3-(4-isopropylphenyl)propyl]ammonium CAS Name: [(3S)-3-(2,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]ammonium IUPAC Name: [(3S)-3-(2,5-dimethylphenoxy)-3-(4-propan-2-ylphenyl)propyl]azanium Traditional Name: [(3S)-3-(2,5-dimethylphenoxy)-3-p-cumenyl-propyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(CC[NH3+])C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)O[C@@H](CC[NH3+])C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C20H27NO/c1-14(2)17-7-9-18(10-8-17)19(11-12-21)22-20-13-15(3)5-6-16(20)4/h5-10,13-14,19H,11-12,21H2,1-4H3/p+1/t19-/m0/s1