[4-chloranyl-7-(2,2-dimethylpropanoyloxy)-1-ethyl-quinolin-1-ium-6-yl] 2,2-dimethylpropanoate chloride

Systemtic Name: [4-chloranyl-7-(2,2-dimethylpropanoyloxy)-1-ethyl-quinolin-1-ium-6-yl] 2,2-dimethylpropanoate chloride Openeye Name: [4-chloro-7-(2,2-dimethylpropanoyloxy)-1-ethyl-quinolin-1-ium-6-yl] 2,2-dimethylpropanoate chloride CAS Name: 2,2-dimethylpropanoic acid [4-chloro-7-(2,2-dimethyl-1-oxopropoxy)-1-ethyl-6-quinolin-1-iumyl] ester chloride IUPAC Name: [4-chloro-7-(2,2-dimethylpropanoyloxy)-1-ethylquinolin-1-ium-6-yl] 2,2-dimethylpropanoate chloride Traditional Name: 2,2-dimethylpropionic acid (4-chloro-1-ethyl-7-pivaloyloxy-quinolin-1-ium-6-yl) ester chloride Formula: C21H27Cl2NO4 MolecularWeight: 428.34938

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C2C=C(C(=CC2=C(C=C1)Cl)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.[Cl-]

Isomeric SMILES

CC[N+]1=C2C=C(C(=CC2=C(C=C1)Cl)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C.[Cl-]

InChI

InChI=1S/C21H27ClNO4.ClH/c1-8-23-10-9-14(22)13-11-16(26-18(24)20(2,3)4)17(12-15(13)23)27-19(25)21(5,6)7;/h9-12H,8H2,1-7H3;1H/q+1;/p-1