(1S)-2-(azocan-1-ium-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanamine

Systemtic Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanamine Openeye Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethanamine CAS Name: (1S)-2-(1-azocan-1-iumyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azocan-1-ium-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azocan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethyl]amine Formula: C16H26FN2O+ MolecularWeight: 281.388843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH+]2CCCCCCC2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C[NH+]2CCCCCCC2)N)F

InChI

InChI=1S/C16H25FN2O/c1-20-16-8-7-13(11-14(16)17)15(18)12-19-9-5-3-2-4-6-10-19/h7-8,11,15H,2-6,9-10,12,18H2,1H3/p+1/t15-/m1/s1