3-[2-carboxyethyl-[4-[2-(6-chloranyl-1-methyl-quinolin-1-ium-2-yl)ethenyl]phenyl]amino]propanoic acid iodide

Systemtic Name: 3-[2-carboxyethyl-[4-[2-(6-chloranyl-1-methyl-quinolin-1-ium-2-yl)ethenyl]phenyl]amino]propanoic acid iodide Openeye Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-quinolin-1-ium-2-yl)vinyl]anilino]propanoic acid iodide CAS Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-2-quinolin-1-iumyl)ethenyl]anilino]propanoic acid iodide IUPAC Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methylquinolin-1-ium-2-yl)ethenyl]anilino]propanoic acid iodide Traditional Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-quinolin-1-ium-2-yl)vinyl]anilino]propionic acid iodide Formula: C24H24ClIN2O4 MolecularWeight: 566.81583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=C1C=CC(=C2)Cl)C=CC3=CC=C(C=C3)N(CCC(=O)O)CCC(=O)O.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=C1C=CC(=C2)Cl)C=CC3=CC=C(C=C3)N(CCC(=O)O)CCC(=O)O.[I-]

InChI

InChI=1S/C24H23ClN2O4.HI/c1-26-20(10-5-18-16-19(25)6-11-22(18)26)7-2-17-3-8-21(9-4-17)27(14-12-23(28)29)15-13-24(30)31;/h2-11,16H,12-15H2,1H3,(H-,28,29,30,31);1H