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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C22H26BrFN3O2+ MolecularWeight: 463.363143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCCN2C=CN=C2)Br)OCC3=CC=CC=C3F

InChI

InChI=1S/C22H25BrFN3O2/c1-2-28-21-13-17(14-25-8-5-10-27-11-9-26-16-27)12-19(23)22(21)29-15-18-6-3-4-7-20(18)24/h3-4,6-7,9,11-13,16,25H,2,5,8,10,14-15H2,1H3/p+1