[4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(2-chloro-4-fluoro-benzyl)oxy-3-methoxy-benzyl]-(3-imidazol-1-ylpropyl)ammonium Formula: C21H24ClFN3O2+ MolecularWeight: 404.885563

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C21H23ClFN3O2/c1-27-21-11-16(13-24-7-2-9-26-10-8-25-15-26)3-6-20(21)28-14-17-4-5-18(23)12-19(17)22/h3-6,8,10-12,15,24H,2,7,9,13-14H2,1H3/p+1