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

Systemtic Name: [3-fluoranyl-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylazanium Openeye Name: [4-[[(1S)-1,3-dimethylbutoxy]methyl]-3-fluoro-phenyl]methylammonium CAS Name: [3-fluoro-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylammonium IUPAC Name: [3-fluoro-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylazanium Traditional Name: [4-[[(1S)-1,3-dimethylbutoxy]methyl]-3-fluoro-benzyl]ammonium Formula: C14H23FNO+ MolecularWeight: 240.336923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FNO/c1-10(2)6-11(3)17-9-13-5-4-12(8-16)7-14(13)15/h4-5,7,10-11H,6,8-9,16H2,1-3H3/p+1/t11-/m0/s1