4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2H-imidazol-1-ium-2-yl]but-3-yn-1-ol

Systemtic Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2H-imidazol-1-ium-2-yl]but-3-yn-1-ol Openeye Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)-2H-imidazol-1-ium-2-yl]but-3-yn-1-ol CAS Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2H-imidazol-1-ium-2-yl]-3-butyn-1-ol IUPAC Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2H-imidazol-1-ium-2-yl]but-3-yn-1-ol Traditional Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)-2H-imidazol-1-ium-2-yl]but-3-yn-1-ol Formula: C27H25FN3O+ MolecularWeight: 426.505303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC[N+]2=C(C(=NC2C#CCCO)C3=CC=C(C=C3)F)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC[N+]2=C(C(=NC2C#CCCO)C3=CC=C(C=C3)F)C4=CC=NC=C4

InChI

InChI=1S/C27H25FN3O/c28-24-13-11-22(12-14-24)26-27(23-15-17-29-18-16-23)31(25(30-26)10-4-5-20-32)19-6-9-21-7-2-1-3-8-21/h1-3,7-8,11-18,25,32H,5-6,9,19-20H2/q+1