ethyl 2-bromanyl-3-pyridin-1-ium-1-yl-propanoate perchlorate

Systemtic Name: ethyl 2-bromanyl-3-pyridin-1-ium-1-yl-propanoate perchlorate Openeye Name: ethyl 2-bromo-3-pyridin-1-ium-1-yl-propanoate perchlorate CAS Name: 2-bromo-3-(1-pyridin-1-iumyl)propanoic acid ethyl ester perchlorate IUPAC Name: ethyl 2-bromo-3-pyridin-1-ium-1-ylpropanoate perchlorate Traditional Name: 2-bromo-3-pyridin-1-ium-1-yl-propionic acid ethyl ester perchlorate Formula: C10H13BrClNO6 MolecularWeight: 358.57032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C[N+]1=CC=CC=C1)Br.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCOC(=O)C(C[N+]1=CC=CC=C1)Br.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C10H13BrNO2.ClHO4/c1-2-14-10(13)9(11)8-12-6-4-3-5-7-12;2-1(3,4)5/h3-7,9H,2,8H2,1H3;(H,2,3,4,5)/q+1;/p-1