[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium Openeye Name: [(1R)-1,5-dimethylhexyl]-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-[(2R)-6-methylheptan-2-yl]ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-[(2R)-6-methylheptan-2-yl]azanium Traditional Name: [(1R)-1,5-dimethylhexyl]-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium Formula: C17H29FNO+ MolecularWeight: 282.416663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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