[(1S)-1-[3-fluoranyl-4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[3-fluoranyl-4-(5-methyl-2-propan-2-yl-phenoxy)phenyl]ethyl]azanium Openeye Name: [(1S)-1-[3-fluoro-4-(2-isopropyl-5-methyl-phenoxy)phenyl]ethyl]ammonium CAS Name: [(1S)-1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[3-fluoro-4-(5-methyl-2-propan-2-ylphenoxy)phenyl]ethyl]azanium Traditional Name: [(1S)-1-[3-fluoro-4-(2-isopropyl-5-methyl-phenoxy)phenyl]ethyl]ammonium Formula: C18H23FNO+ MolecularWeight: 288.379723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)C(C)[NH3+])F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=C(C=C(C=C2)[C@H](C)[NH3+])F

InChI

InChI=1S/C18H22FNO/c1-11(2)15-7-5-12(3)9-18(15)21-17-8-6-14(13(4)20)10-16(17)19/h5-11,13H,20H2,1-4H3/p+1/t13-/m0/s1