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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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