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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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