(E)-3-[3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-bromanyl-5-chloranyl-2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-5-chloro-2-[2-(dimethylazaniumyl)ethoxy]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-5-chloro-2-[2-(dimethylammonio)ethoxy]phenyl]acrylate Formula: C13H15BrClNO3 MolecularWeight: 348.6201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCOC1=C(C=C(C=C1C=CC(=O)[O-])Cl)Br

Isomeric SMILES

C[NH+](C)CCOC1=C(C=C(C=C1/C=C/C(=O)[O-])Cl)Br

InChI

InChI=1S/C13H15BrClNO3/c1-16(2)5-6-19-13-9(3-4-12(17)18)7-10(15)8-11(13)14/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)/b4-3+