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

Systemtic Name: 3-[2-carboxyethyl-[4-[2-(6-chloranyl-1-methyl-quinolin-1-ium-2-yl)ethenyl]-3-methyl-phenyl]amino]propanoic acid iodide Openeye Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-quinolin-1-ium-2-yl)vinyl]-3-methyl-anilino]propanoic acid iodide CAS Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-2-quinolin-1-iumyl)ethenyl]-3-methylanilino]propanoic acid iodide IUPAC Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methylquinolin-1-ium-2-yl)ethenyl]-3-methylanilino]propanoic acid iodide Traditional Name: 3-[N-(2-carboxyethyl)-4-[2-(6-chloro-1-methyl-quinolin-1-ium-2-yl)vinyl]-3-methyl-anilino]propionic acid iodide Formula: C25H26ClIN2O4 MolecularWeight: 580.84241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCC(=O)O)CCC(=O)O)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)Cl)C.[I-]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCC(=O)O)CCC(=O)O)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)Cl)C.[I-]

InChI

InChI=1S/C25H25ClN2O4.HI/c1-17-15-22(28(13-11-24(29)30)14-12-25(31)32)9-4-18(17)3-7-21-8-5-19-16-20(26)6-10-23(19)27(21)2;/h3-10,15-16H,11-14H2,1-2H3,(H-,29,30,31,32);1H