3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2-ethyl-2-methyl-hexanoate diiodide

Systemtic Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2-ethyl-2-methyl-hexanoate diiodide Openeye Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2-ethyl-2-methyl-hexanoate diiodide CAS Name: 2-ethyl-2-methylhexanoic 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-ethyl-2-methylhexanoate diiodide Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl ester diiodide Formula: C38H80I2N4O4+2 MolecularWeight: 910.87514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H40N2O2.2HI/c2*1-7-9-11-19(3,8-2)18(22)23-17-10-12-21(6)15-13-20(4,5)14-16-21;;/h2*7-17H2,1-6H3;2*1H/q2*+2;;/p-2