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

Systemtic Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl octanoate diiodide Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] octanoate diiodide CAS Name: octanoic 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 octanoate diiodide Traditional Name: caprylic acid [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] ester diiodide Formula: C23H46I2N2O2 MolecularWeight: 636.43248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46N2O2.2HI/c1-4-5-6-7-10-15-23(26)27-22(20-24(2)16-11-8-12-17-24)21-25(3)18-13-9-14-19-25;;/h22H,4-21H2,1-3H3;2*1H/q+2;;/p-2