ethyl 5-[1-[2-(2,3-dimethoxyphenoxy)butanoyloxymethyl]piperazin-1-ium-1-yl]-2-ethyl-pentanoate

Systemtic Name: ethyl 5-[1-[2-(2,3-dimethoxyphenoxy)butanoyloxymethyl]piperazin-1-ium-1-yl]-2-ethyl-pentanoate Openeye Name: ethyl 5-[1-[2-(2,3-dimethoxyphenoxy)butanoyloxymethyl]piperazin-1-ium-1-yl]-2-ethyl-pentanoate CAS Name: 5-[1-[[2-(2,3-dimethoxyphenoxy)-1-oxobutoxy]methyl]-1-piperazin-1-iumyl]-2-ethylpentanoic acid ethyl ester IUPAC Name: ethyl 5-[1-[2-(2,3-dimethoxyphenoxy)butanoyloxymethyl]piperazin-1-ium-1-yl]-2-ethylpentanoate Traditional Name: 5-[1-[2-(2,3-dimethoxyphenoxy)butanoyloxymethyl]piperazin-1-ium-1-yl]-2-ethyl-valeric acid ethyl ester Formula: C26H43N2O7+ MolecularWeight: 495.62882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC[N+]1(CCNCC1)COC(=O)C(CC)OC2=CC=CC(=C2OC)OC)C(=O)OCC

Isomeric SMILES

CCC(CCC[N+]1(CCNCC1)COC(=O)C(CC)OC2=CC=CC(=C2OC)OC)C(=O)OCC

InChI

InChI=1S/C26H43N2O7/c1-6-20(25(29)33-8-3)11-10-16-28(17-14-27-15-18-28)19-34-26(30)21(7-2)35-23-13-9-12-22(31-4)24(23)32-5/h9,12-13,20-21,27H,6-8,10-11,14-19H2,1-5H3/q+1