[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium

Systemtic Name: [5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium Openeye Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-(3-imidazol-1-ylpropyl)ammonium CAS Name: [5-(3-chloro-4-fluorophenyl)-2-furanyl]methyl-[3-(1-imidazolyl)propyl]ammonium IUPAC Name: [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(3-imidazol-1-ylpropyl)azanium Traditional Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-(3-imidazol-1-ylpropyl)ammonium Formula: C17H18ClFN3O+ MolecularWeight: 334.795723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3)Cl)F

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C[NH2+]CCCN3C=CN=C3)Cl)F

InChI

InChI=1S/C17H17ClFN3O/c18-15-10-13(2-4-16(15)19)17-5-3-14(23-17)11-20-6-1-8-22-9-7-21-12-22/h2-5,7,9-10,12,20H,1,6,8,11H2/p+1