[4-[[(2S)-2-ethylhexoxy]methyl]-3-fluoranyl-phenyl]methylazanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COCC1=C(C=C(C=C1)C[NH3+])F

Isomeric SMILES

CCCC[C@H](CC)COCC1=C(C=C(C=C1)C[NH3+])F

InChI

InChI=1S/C16H26FNO/c1-3-5-6-13(4-2)11-19-12-15-8-7-14(10-18)9-16(15)17/h7-9,13H,3-6,10-12,18H2,1-2H3/p+1/t13-/m0/s1