[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [4-[(2-chloro-6-fluoro-phenyl)methoxy]-3-methoxy-phenyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [4-(2-chloro-6-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=CC=C3Cl)F

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H23ClFN3O2/c1-27-21-12-16(13-24-8-3-10-26-11-9-25-15-26)6-7-20(21)28-14-17-18(22)4-2-5-19(17)23/h2,4-7,9,11-12,15,24H,3,8,10,13-14H2,1H3/p+1