[5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-bromanyl-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-bromo-2-(4-fluorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C20H22BrFN3O+ MolecularWeight: 419.310583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3)F

Isomeric SMILES

C1=CC(=CC=C1COC2=C(C=C(C=C2)Br)C[NH2+]CCCN3C=CN=C3)F

InChI

InChI=1S/C20H21BrFN3O/c21-18-4-7-20(26-14-16-2-5-19(22)6-3-16)17(12-18)13-23-8-1-10-25-11-9-24-15-25/h2-7,9,11-12,15,23H,1,8,10,13-14H2/p+1