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

Systemtic Name: 3-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]propyl-dimethyl-ammonium Formula: C16H22ClFN2O+2 MolecularWeight: 312.810083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClFN2O/c1-20(2)9-3-8-19-11-13-5-7-16(21-13)12-4-6-15(18)14(17)10-12/h4-7,10,19H,3,8-9,11H2,1-2H3/p+2