(2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-ethyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(dimethylazaniumyl)ethyl]-ethyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[2-(dimethylammonio)ethyl]-ethyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[2-(dimethylammonio)ethyl]-ethylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[2-(dimethylazaniumyl)ethyl]-ethylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-(dimethylammonio)ethyl]-ethyl-ammonium Formula: C13H22ClFN2+2 MolecularWeight: 260.778583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC[NH+](C)C)CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CC[NH+](CC[NH+](C)C)CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H20ClFN2/c1-4-17(9-8-16(2)3)10-11-12(14)6-5-7-13(11)15/h5-7H,4,8-10H2,1-3H3/p+2