potassium 4-[[4-[[(4-bromanyl-2-fluoranyl-phenyl)methylamino]methyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: potassium 4-[[4-[[(4-bromanyl-2-fluoranyl-phenyl)methylamino]methyl]imidazol-1-yl]methyl]benzoate Openeye Name: potassium 4-[[4-[[(4-bromo-2-fluoro-phenyl)methylamino]methyl]imidazol-1-yl]methyl]benzoate CAS Name: potassium 4-[[4-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-1-imidazolyl]methyl]benzoate IUPAC Name: potassium 4-[[4-[[(4-bromo-2-fluorophenyl)methylamino]methyl]imidazol-1-yl]methyl]benzoate Traditional Name: potassium 4-[[4-[[(4-bromo-2-fluoro-benzyl)amino]methyl]imidazol-1-yl]methyl]benzoate Formula: C19H16BrFKN3O2 MolecularWeight: 456.349943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(N=C2)CNCC3=C(C=C(C=C3)Br)F)C(=O)[O-].[K+]

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(N=C2)CNCC3=C(C=C(C=C3)Br)F)C(=O)[O-].[K+]

InChI

InChI=1S/C19H17BrFN3O2.K/c20-16-6-5-15(18(21)7-16)8-22-9-17-11-24(12-23-17)10-13-1-3-14(4-2-13)19(25)26;/h1-7,11-12,22H,8-10H2,(H,25,26);/q;+1/p-1