[(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(3,5-dimethylphenoxy)phenyl]ethyl]ammonium Formula: C16H20NO+ MolecularWeight: 242.3361

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)C(C)[NH3+])C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC=C(C=C2)[C@H](C)[NH3+])C

InChI

InChI=1S/C16H19NO/c1-11-8-12(2)10-16(9-11)18-15-6-4-14(5-7-15)13(3)17/h4-10,13H,17H2,1-3H3/p+1/t13-/m0/s1