ethyl 2-[4-(7-chloranyl-1-methyl-quinolin-1-ium-2-yl)oxyphenoxy]propanoate iodide

Systemtic Name: ethyl 2-[4-(7-chloranyl-1-methyl-quinolin-1-ium-2-yl)oxyphenoxy]propanoate iodide Openeye Name: ethyl 2-[4-(7-chloro-1-methyl-quinolin-1-ium-2-yl)oxyphenoxy]propanoate iodide CAS Name: 2-[4-[(7-chloro-1-methyl-2-quinolin-1-iumyl)oxy]phenoxy]propanoic acid ethyl ester iodide IUPAC Name: ethyl 2-[4-(7-chloro-1-methylquinolin-1-ium-2-yl)oxyphenoxy]propanoate iodide Traditional Name: 2-[4-(7-chloro-1-methyl-quinolin-1-ium-2-yl)oxyphenoxy]propionic acid ethyl ester iodide Formula: C21H21ClINO4 MolecularWeight: 513.75321

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=[N+](C3=C(C=CC(=C3)Cl)C=C2)C.[I-]

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=[N+](C3=C(C=CC(=C3)Cl)C=C2)C.[I-]

InChI

InChI=1S/C21H21ClNO4.HI/c1-4-25-21(24)14(2)26-17-8-10-18(11-9-17)27-20-12-6-15-5-7-16(22)13-19(15)23(20)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1