[4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-3-fluoranyl-phenyl]methylazanium

Systemtic Name: [4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-3-fluoranyl-phenyl]methylazanium Openeye Name: [3-fluoro-4-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]phenyl]methylammonium CAS Name: [4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-3-fluorophenyl]methylammonium IUPAC Name: [4-[[2-[(2S)-butan-2-yl]phenoxy]methyl]-3-fluorophenyl]methylazanium Traditional Name: [3-fluoro-4-[[2-[(1S)-1-methylpropyl]phenoxy]methyl]benzyl]ammonium Formula: C18H23FNO+ MolecularWeight: 288.379723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

CC[C@H](C)C1=CC=CC=C1OCC2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C18H22FNO/c1-3-13(2)16-6-4-5-7-18(16)21-12-15-9-8-14(11-20)10-17(15)19/h4-10,13H,3,11-12,20H2,1-2H3/p+1/t13-/m0/s1