2-bromanyl-3-phenyl-propanoate; 2-(dimethylazaniumyl)ethyl-dimethyl-azanium

Systemtic Name: 2-bromanyl-3-phenyl-propanoate; 2-(dimethylazaniumyl)ethyl-dimethyl-azanium Openeye Name: 2-bromo-3-phenyl-propanoate; 2-(dimethylammonio)ethyl-dimethyl-ammonium CAS Name: 2-bromo-3-phenylpropanoate; 2-(dimethylammonio)ethyl-dimethylammonium IUPAC Name: 2-bromo-3-phenylpropanoate; 2-(dimethylazaniumyl)ethyl-dimethylazanium Traditional Name: 2-bromo-3-phenyl-propionate; 2-(dimethylammonio)ethyl-dimethyl-ammonium Formula: C24H34Br2N2O4 MolecularWeight: 574.34576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](C)C.C1=CC=C(C=C1)CC(C(=O)[O-])Br.C1=CC=C(C=C1)CC(C(=O)[O-])Br

Isomeric SMILES

C[NH+](C)CC[NH+](C)C.C1=CC=C(C=C1)CC(C(=O)[O-])Br.C1=CC=C(C=C1)CC(C(=O)[O-])Br

InChI

InChI=1S/2C9H9BrO2.C6H16N2/c2*10-8(9(11)12)6-7-4-2-1-3-5-7;1-7(2)5-6-8(3)4/h2*1-5,8H,6H2,(H,11,12);5-6H2,1-4H3