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

Systemtic Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethanamine Openeye Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethanamine CAS Name: (1S)-2-(1-azepan-1-iumyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine IUPAC Name: (1S)-2-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanamine Traditional Name: [(1S)-2-(azepan-1-ium-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethyl]amine Formula: C15H24FN2O+ MolecularWeight: 267.362263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH+]2CCCCCC2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C[NH+]2CCCCCC2)N)F

InChI

InChI=1S/C15H23FN2O/c1-19-15-7-6-12(10-13(15)16)14(17)11-18-8-4-2-3-5-9-18/h6-7,10,14H,2-5,8-9,11,17H2,1H3/p+1/t14-/m1/s1