[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium

Systemtic Name: [5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Openeye Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium CAS Name: [5-(3-chloro-4-fluorophenyl)-2-furanyl]methyl-(4-piperidin-1-iumylmethyl)ammonium IUPAC Name: [5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(piperidin-1-ium-4-ylmethyl)azanium Traditional Name: [5-(3-chloro-4-fluoro-phenyl)-2-furyl]methyl-(piperidin-1-ium-4-ylmethyl)ammonium Formula: C17H22ClFN2O+2 MolecularWeight: 324.820783

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1C[NH2+]CCC1C[NH2+]CC2=CC=C(O2)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H20ClFN2O/c18-15-9-13(1-3-16(15)19)17-4-2-14(22-17)11-21-10-12-5-7-20-8-6-12/h1-4,9,12,20-21H,5-8,10-11H2/p+2