dibutyl-[3-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]propyl]azanium

Systemtic Name: dibutyl-[3-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]propyl]azanium Openeye Name: dibutyl-[3-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]propyl]ammonium CAS Name: dibutyl-[3-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylammonio]propyl]ammonium IUPAC Name: dibutyl-[3-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]propyl]azanium Traditional Name: dibutyl-[3-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]propyl]ammonium Formula: C22H34ClFN2O+2 MolecularWeight: 396.969563

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC=C(O1)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCC[NH+](CCCC)CCC[NH2+]CC1=CC=C(O1)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C22H32ClFN2O/c1-3-5-13-26(14-6-4-2)15-7-12-25-17-19-9-11-22(27-19)18-8-10-21(24)20(23)16-18/h8-11,16,25H,3-7,12-15,17H2,1-2H3/p+2