(4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: (4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium Openeye Name: (4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]ammonium CAS Name: (4-fluorophenyl)methyl-[3-(1-imidazolyl)propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: (4-fluorophenyl)methyl-(3-imidazol-1-ylpropyl)-[(4-methoxyphenyl)methyl]azanium Traditional Name: (4-fluorobenzyl)-(3-imidazol-1-ylpropyl)-p-anisyl-ammonium Formula: C21H25FN3O+ MolecularWeight: 354.441103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CCCN2C=CN=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H24FN3O/c1-26-21-9-5-19(6-10-21)16-25(13-2-12-24-14-11-23-17-24)15-18-3-7-20(22)8-4-18/h3-11,14,17H,2,12-13,15-16H2,1H3/p+1