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

Systemtic Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl hexadecanoate diiodide Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] hexadecanoate diiodide CAS Name: hexadecanoic 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 hexadecanoate diiodide Traditional Name: palmitic acid [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] ester diiodide Formula: C31H62I2N2O2 MolecularWeight: 748.64512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H62N2O2.2HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-23-31(34)35-30(28-32(2)24-19-16-20-25-32)29-33(3)26-21-17-22-27-33;;/h30H,4-29H2,1-3H3;2*1H/q+2;;/p-2