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

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-ethyl-azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[2-(dimethylammonio)ethyl]-ethyl-ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[2-(dimethylammonio)ethyl]-ethylammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[2-(dimethylammonio)ethyl]-ethyl-ammonium Formula: C13H22BrFN2+2 MolecularWeight: 305.229583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrFN2/c1-4-17(8-7-16(2)3)10-11-5-6-13(15)12(14)9-11/h5-6,9H,4,7-8,10H2,1-3H3/p+2