3-[2-bromanyl-4-chloranyl-6-[(methylazaniumyl)methyl]phenoxy]propyl-dimethyl-azanium

Systemtic Name: 3-[2-bromanyl-4-chloranyl-6-[(methylazaniumyl)methyl]phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[2-bromo-4-chloro-6-[(methylammonio)methyl]phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[2-bromo-4-chloro-6-[(methylammonio)methyl]phenoxy]propyl-dimethylammonium IUPAC Name: 3-[2-bromo-4-chloro-6-[(methylazaniumyl)methyl]phenoxy]propyl-dimethylazanium Traditional Name: 3-[2-bromo-4-chloro-6-[(methylammonio)methyl]phenoxy]propyl-dimethyl-ammonium Formula: C13H22BrClN2O+2 MolecularWeight: 337.68358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC(=CC(=C1OCCC[NH+](C)C)Br)Cl

Isomeric SMILES

C[NH2+]CC1=CC(=CC(=C1OCCC[NH+](C)C)Br)Cl

InChI

InChI=1S/C13H20BrClN2O/c1-16-9-10-7-11(15)8-12(14)13(10)18-6-4-5-17(2)3/h7-8,16H,4-6,9H2,1-3H3/p+2