[(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium Formula: C17H29FNO+ MolecularWeight: 282.416663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]C(C)C1=CC(=C(C=C1)OC)F

Isomeric SMILES

CCCC[C@H](CC)C[NH2+][C@H](C)C1=CC(=C(C=C1)OC)F

InChI

InChI=1S/C17H28FNO/c1-5-7-8-14(6-2)12-19-13(3)15-9-10-17(20-4)16(18)11-15/h9-11,13-14,19H,5-8,12H2,1-4H3/p+1/t13-,14+/m1/s1