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

Systemtic Name: 2-[[5-(3-chloranyl-4-fluoranyl-phenyl)furan-2-yl]methylazaniumyl]ethyl-diethyl-azanium Openeye Name: 2-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]ethyl-diethyl-ammonium CAS Name: 2-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylammonio]ethyl-diethylammonium IUPAC Name: 2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-diethylazanium Traditional Name: 2-[[5-(3-chloro-4-fluoro-phenyl)-2-furyl]methylammonio]ethyl-diethyl-ammonium Formula: C17H24ClFN2O+2 MolecularWeight: 326.836663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClFN2O/c1-3-21(4-2)10-9-20-12-14-6-8-17(22-14)13-5-7-16(19)15(18)11-13/h5-8,11,20H,3-4,9-10,12H2,1-2H3/p+2