[(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]azanium Openeye Name: [(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]ammonium CAS Name: [(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]azanium Traditional Name: [(1S)-1-[2-[4-(cyanomethyl)phenoxy]phenyl]ethyl]ammonium Formula: C16H17N2O+ MolecularWeight: 253.31898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC2=CC=C(C=C2)CC#N)[NH3+]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC2=CC=C(C=C2)CC#N)[NH3+]

InChI

InChI=1S/C16H16N2O/c1-12(18)15-4-2-3-5-16(15)19-14-8-6-13(7-9-14)10-11-17/h2-9,12H,10,18H2,1H3/p+1/t12-/m0/s1