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

Systemtic Name: (1S)-1-(3-fluoranyl-4-methoxy-phenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine Openeye Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethanamine CAS Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine IUPAC Name: (1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine Traditional Name: [(1S)-1-(3-fluoro-4-methoxy-phenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]amine Formula: C15H21FN3O+ MolecularWeight: 278.345143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=[N+](C=CN1)CC(C2=CC(=C(C=C2)OC)F)N

Isomeric SMILES

CC(C)C1=[N+](C=CN1)C[C@H](C2=CC(=C(C=C2)OC)F)N

InChI

InChI=1S/C15H20FN3O/c1-10(2)15-18-6-7-19(15)9-13(17)11-4-5-14(20-3)12(16)8-11/h4-8,10,13H,9,17H2,1-3H3/p+1/t13-/m1/s1