[(1S)-2-(benzimidazol-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]azanium

Systemtic Name: [(1S)-2-(benzimidazol-1-yl)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]azanium Openeye Name: [(1S)-2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium CAS Name: [(1S)-2-(1-benzimidazolyl)-1-(3-fluoro-4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(1S)-2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethyl]azanium Traditional Name: [(1S)-2-(benzimidazol-1-yl)-1-(3-fluoro-4-methoxy-phenyl)ethyl]ammonium Formula: C16H17FN3O+ MolecularWeight: 286.324083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2C=NC3=CC=CC=C32)[NH3+])F

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CN2C=NC3=CC=CC=C32)[NH3+])F

InChI

InChI=1S/C16H16FN3O/c1-21-16-7-6-11(8-12(16)17)13(18)9-20-10-19-14-4-2-3-5-15(14)20/h2-8,10,13H,9,18H2,1H3/p+1/t13-/m1/s1