ethyl 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3-methyl-butanoate iodide

Systemtic Name: ethyl 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3-methyl-butanoate iodide Openeye Name: ethyl 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3-methyl-butanoate iodide CAS Name: 2-(4-ethyl-4-methyl-1-piperazin-4-iumyl)-3-methylbutanoic acid ethyl ester iodide IUPAC Name: ethyl 2-(4-ethyl-4-methylpiperazin-4-ium-1-yl)-3-methylbutanoate iodide Traditional Name: 2-(4-ethyl-4-methyl-piperazin-4-ium-1-yl)-3-methyl-butyric acid ethyl ester iodide Formula: C14H29IN2O2 MolecularWeight: 384.29673

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCN(CC1)C(C(C)C)C(=O)OCC)C.[I-]

Isomeric SMILES

CC[N+]1(CCN(CC1)C(C(C)C)C(=O)OCC)C.[I-]

InChI

InChI=1S/C14H29N2O2.HI/c1-6-16(5)10-8-15(9-11-16)13(12(3)4)14(17)18-7-2;/h12-13H,6-11H2,1-5H3;1H/q+1;/p-1