(3-bromanyl-4-fluoranyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-(3-imidazol-1-ylpropyl)ammonium Formula: C13H16BrFN3+ MolecularWeight: 313.188643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C[NH2+]CCCN2C=CN=C2)Br)F

Isomeric SMILES

C1=CC(=C(C=C1C[NH2+]CCCN2C=CN=C2)Br)F

InChI

InChI=1S/C13H15BrFN3/c14-12-8-11(2-3-13(12)15)9-16-4-1-6-18-7-5-17-10-18/h2-3,5,7-8,10,16H,1,4,6,9H2/p+1