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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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