(1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamine

Systemtic Name: (1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamine Openeye Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamine CAS Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamine IUPAC Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethanamine Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]amine Formula: C13H17FN3O+ MolecularWeight: 250.291983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CC(C2=CC(=C(C=C2)OC)F)N

Isomeric SMILES

CC1=[N+](C=CN1)C[C@H](C2=CC(=C(C=C2)OC)F)N

InChI

InChI=1S/C13H16FN3O/c1-9-16-5-6-17(9)8-12(15)10-3-4-13(18-2)11(14)7-10/h3-7,12H,8,15H2,1-2H3/p+1/t12-/m1/s1