[(1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoranyl-phenyl]ethyl]azanium

Systemtic Name: [(1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoranyl-phenyl]ethyl]azanium Openeye Name: [(1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoro-phenyl]ethyl]ammonium CAS Name: [(1S)-1-[4-(5,6-dimethyl-1-benzimidazolyl)-3-fluorophenyl]ethyl]ammonium IUPAC Name: [(1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorophenyl]ethyl]azanium Traditional Name: [(1S)-1-[4-(5,6-dimethylbenzimidazol-1-yl)-3-fluoro-phenyl]ethyl]ammonium Formula: C17H19FN3+ MolecularWeight: 284.351263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)C(C)[NH3+])F

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C=N2)C3=C(C=C(C=C3)[C@H](C)[NH3+])F

InChI

InChI=1S/C17H18FN3/c1-10-6-15-17(7-11(10)2)21(9-20-15)16-5-4-13(12(3)19)8-14(16)18/h4-9,12H,19H2,1-3H3/p+1/t12-/m0/s1