[4-fluoranyl-3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium

Systemtic Name: [4-fluoranyl-3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium Openeye Name: [4-fluoro-3-[[(1S)-1-methylheptoxy]methyl]phenyl]methylammonium CAS Name: [4-fluoro-3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylammonium IUPAC Name: [4-fluoro-3-[[(2S)-octan-2-yl]oxymethyl]phenyl]methylazanium Traditional Name: [4-fluoro-3-[[(1S)-1-methylheptoxy]methyl]benzyl]ammonium Formula: C16H27FNO+ MolecularWeight: 268.390083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC1=C(C=CC(=C1)C[NH3+])F

Isomeric SMILES

CCCCCC[C@H](C)OCC1=C(C=CC(=C1)C[NH3+])F

InChI

InChI=1S/C16H26FNO/c1-3-4-5-6-7-13(2)19-12-15-10-14(11-18)8-9-16(15)17/h8-10,13H,3-7,11-12,18H2,1-2H3/p+1/t13-/m0/s1