8-pyridin-1-ium-1-yloctyl (2R)-2-phenylpropanoate iodide

Systemtic Name: 8-pyridin-1-ium-1-yloctyl (2R)-2-phenylpropanoate iodide Openeye Name: 8-pyridin-1-ium-1-yloctyl (2R)-2-phenylpropanoate iodide CAS Name: (2R)-2-phenylpropanoic acid 8-(1-pyridin-1-iumyl)octyl ester iodide IUPAC Name: 8-pyridin-1-ium-1-yloctyl (2R)-2-phenylpropanoate iodide Traditional Name: (2R)-2-phenylpropionic acid 8-pyridin-1-ium-1-yloctyl ester iodide Formula: C22H30INO2 MolecularWeight: 467.38357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)OCCCCCCCC[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)C(=O)OCCCCCCCC[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C22H30NO2.HI/c1-20(21-14-8-6-9-15-21)22(24)25-19-13-5-3-2-4-10-16-23-17-11-7-12-18-23;/h6-9,11-12,14-15,17-18,20H,2-5,10,13,16,19H2,1H3;1H/q+1;/p-1/t20-;/m1./s1