3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpropanoate diiodide

Systemtic Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpropanoate diiodide Openeye Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpropanoate diiodide CAS Name: 2,2-dimethylpropanoic acid 3-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)propyl ester diiodide IUPAC Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpropanoate diiodide Traditional Name: 2,2-dimethylpropionic acid 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl ester diiodide Formula: C30H64I2N4O4+2 MolecularWeight: 798.6625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H32N2O2.2HI/c2*1-15(2,3)14(18)19-13-7-8-17(6)11-9-16(4,5)10-12-17;;/h2*7-13H2,1-6H3;2*1H/q2*+2;;/p-2