[4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate chloride

Systemtic Name: [4-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate chloride Openeye Name: [4-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate chloride CAS Name: 2,2-dimethylpropanoic acid [4-[2-(3-carbamoyl-1-pyridin-1-iumyl)ethyl]-2-(2,2-dimethyl-1-oxopropoxy)phenyl] ester chloride IUPAC Name: [4-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]-2-(2,2-dimethylpropanoyloxy)phenyl] 2,2-dimethylpropanoate chloride Traditional Name: 2,2-dimethylpropionic acid [4-[2-(3-carbamoylpyridin-1-ium-1-yl)ethyl]-2-pivaloyloxy-phenyl] ester chloride Formula: C24H31ClN2O5 MolecularWeight: 462.96634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)N)OC(=O)C(C)(C)C.[Cl-]

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)N)OC(=O)C(C)(C)C.[Cl-]

InChI

InChI=1S/C24H30N2O5.ClH/c1-23(2,3)21(28)30-18-10-9-16(14-19(18)31-22(29)24(4,5)6)11-13-26-12-7-8-17(15-26)20(25)27;/h7-10,12,14-15H,11,13H2,1-6H3,(H-,25,27);1H