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

Systemtic Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpentanoate diiodide Openeye Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpentanoate diiodide CAS Name: 2,2-dimethylpentanoic 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-dimethylpentanoate diiodide Traditional Name: 2,2-dimethylvaleric acid 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl ester diiodide Formula: C34H72I2N4O4+2 MolecularWeight: 854.76882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H36N2O2.2HI/c2*1-7-9-17(2,3)16(20)21-15-8-10-19(6)13-11-18(4,5)12-14-19;;/h2*7-15H2,1-6H3;2*1H/q2*+2;;/p-2