(3-bromanyl-4-fluoranyl-phenyl)methyl-[2-(diethylazaniumyl)ethyl]-methyl-azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[2-(diethylazaniumyl)ethyl]-methyl-azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[2-(diethylammonio)ethyl]-methyl-ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[2-(diethylammonio)ethyl]-methylammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[2-(diethylazaniumyl)ethyl]-methylazanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[2-(diethylammonio)ethyl]-methyl-ammonium Formula: C14H24BrFN2+2 MolecularWeight: 319.256163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC[NH+](C)CC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CC[NH+](CC)CC[NH+](C)CC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C14H22BrFN2/c1-4-18(5-2)9-8-17(3)11-12-6-7-14(16)13(15)10-12/h6-7,10H,4-5,8-9,11H2,1-3H3/p+2