[(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1S)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Openeye Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-[(2R)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-[(2R)-5-methylhexan-2-yl]azanium Traditional Name: [(1R)-1,4-dimethylpentyl]-[(1S)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium Formula: C16H27FNO+ MolecularWeight: 268.390083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FNO/c1-11(2)6-7-12(3)18-13(4)14-8-9-16(19-5)15(17)10-14/h8-13,18H,6-7H2,1-5H3/p+1/t12-,13+/m1/s1