1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl dodecanoate diiodide

Systemtic Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl dodecanoate diiodide Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] dodecanoate diiodide CAS Name: dodecanoic acid 1,3-bis(1-methyl-1-piperidin-1-iumyl)propan-2-yl ester diiodide IUPAC Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl dodecanoate diiodide Traditional Name: lauric acid [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] ester diiodide Formula: C27H54I2N2O2 MolecularWeight: 692.5388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC(C[N+]1(CCCCC1)C)C[N+]2(CCCCC2)C.[I-].[I-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OC(C[N+]1(CCCCC1)C)C[N+]2(CCCCC2)C.[I-].[I-]

InChI

InChI=1S/C27H54N2O2.2HI/c1-4-5-6-7-8-9-10-11-14-19-27(30)31-26(24-28(2)20-15-12-16-21-28)25-29(3)22-17-13-18-23-29;;/h26H,4-25H2,1-3H3;2*1H/q+2;;/p-2