(3-bromanyl-4-fluoranyl-phenyl)methyl-(2-dimethylaminoethyl)-ethyl-azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-(2-dimethylaminoethyl)-ethyl-azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-(2-dimethylaminoethyl)-ethyl-ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-(2-dimethylaminoethyl)-ethylammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-(2-dimethylaminoethyl)-ethylazanium Traditional Name: (3-bromo-4-fluoro-benzyl)-(2-dimethylaminoethyl)-ethyl-ammonium Formula: C13H21BrFN2+ MolecularWeight: 304.221643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[NH+](CCN(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+1