3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one diiodide

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]propan-1-one diiodide Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxo-ethyl]piperazin-1-yl]propan-1-one diiodide CAS Name: 3-(1-methyl-1-piperidin-1-iumyl)-1-[4-[2-(1-methyl-1-piperidin-1-iumyl)-2-oxoethyl]-1-piperazinyl]-1-propanone diiodide IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one diiodide Traditional Name: 1-[4-[2-keto-2-(1-methylpiperidin-1-ium-1-yl)ethyl]piperazino]-3-(1-methylpiperidin-1-ium-1-yl)propan-1-one diiodide Formula: C21H40I2N4O2 MolecularWeight: 634.37684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(=O)N2CCN(CC2)CC(=O)[N+]3(CCCCC3)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(=O)N2CCN(CC2)CC(=O)[N+]3(CCCCC3)C.[I-].[I-]

InChI

InChI=1S/C21H40N4O2.2HI/c1-24(14-5-3-6-15-24)18-9-20(26)23-12-10-22(11-13-23)19-21(27)25(2)16-7-4-8-17-25;;/h3-19H2,1-2H3;2*1H/q+2;;/p-2