5-[1-[[3,4-dimethoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]methyl]piperazin-1-ium-1-yl]-2-ethyl-pentanoic acid

Systemtic Name: 5-[1-[[3,4-dimethoxy-2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]methyl]piperazin-1-ium-1-yl]-2-ethyl-pentanoic acid Openeye Name: 2-ethyl-5-[1-[[2-(4-hydroxy-4-oxo-butoxy)-3,4-dimethoxy-phenyl]methyl]piperazin-1-ium-1-yl]pentanoic acid CAS Name: 2-ethyl-5-[1-[[2-(4-hydroxy-4-oxobutoxy)-3,4-dimethoxyphenyl]methyl]-1-piperazin-1-iumyl]pentanoic acid IUPAC Name: 2-ethyl-5-[1-[[2-(4-hydroxy-4-oxobutoxy)-3,4-dimethoxyphenyl]methyl]piperazin-1-ium-1-yl]pentanoic acid Traditional Name: 2-ethyl-5-[1-[2-(4-hydroxy-4-keto-butoxy)-3,4-dimethoxy-benzyl]piperazin-1-ium-1-yl]valeric acid Formula: C24H39N2O7+ MolecularWeight: 467.57566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC[N+]1(CCNCC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)O)C(=O)O

Isomeric SMILES

CCC(CCC[N+]1(CCNCC1)CC2=C(C(=C(C=C2)OC)OC)OCCCC(=O)O)C(=O)O

InChI

InChI=1S/C24H38N2O7/c1-4-18(24(29)30)7-5-13-26(14-11-25-12-15-26)17-19-9-10-20(31-2)23(32-3)22(19)33-16-6-8-21(27)28/h9-10,18,25H,4-8,11-17H2,1-3H3,(H-,27,28,29,30)/p+1