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

Systemtic Name: 1,3-bis(1-methylpiperidin-1-ium-1-yl)propan-2-yl propanoate diiodide Openeye Name: [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] propanoate diiodide CAS Name: propanoic 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 propanoate diiodide Traditional Name: propionic acid [2-(1-methylpiperidin-1-ium-1-yl)-1-[(1-methylpiperidin-1-ium-1-yl)methyl]ethyl] ester diiodide Formula: C18H36I2N2O2 MolecularWeight: 566.29958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36N2O2.2HI/c1-4-18(21)22-17(15-19(2)11-7-5-8-12-19)16-20(3)13-9-6-10-14-20;;/h17H,4-16H2,1-3H3;2*1H/q+2;;/p-2