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

Systemtic Name: (1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C[NH+]2CCCC2)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C[NH+]2CCCC2)N)F

InChI

InChI=1S/C13H19FN2O/c1-17-13-5-4-10(8-11(13)14)12(15)9-16-6-2-3-7-16/h4-5,8,12H,2-3,6-7,9,15H2,1H3/p+1/t12-/m1/s1