3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]propanoate

Systemtic Name: 3-[3-bromanyl-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxy-phenyl]propanoate Openeye Name: 3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]propanoate CAS Name: 3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-ethoxyphenyl]propanoate IUPAC Name: 3-[3-bromo-4-[3-(dimethylazaniumyl)propoxy]-5-ethoxyphenyl]propanoate Traditional Name: 3-[3-bromo-4-[3-(dimethylammonio)propoxy]-5-ethoxy-phenyl]propionate Formula: C16H24BrNO4 MolecularWeight: 374.27006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCCC[NH+](C)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CCC(=O)[O-])Br)OCCC[NH+](C)C

InChI

InChI=1S/C16H24BrNO4/c1-4-21-14-11-12(6-7-15(19)20)10-13(17)16(14)22-9-5-8-18(2)3/h10-11H,4-9H2,1-3H3,(H,19,20)