methyl 11-(1-methylpiperidin-1-ium-1-yl)-10-oxidanyl-undecanoate iodide

Systemtic Name: methyl 11-(1-methylpiperidin-1-ium-1-yl)-10-oxidanyl-undecanoate iodide Openeye Name: methyl 10-hydroxy-11-(1-methylpiperidin-1-ium-1-yl)undecanoate iodide CAS Name: 10-hydroxy-11-(1-methyl-1-piperidin-1-iumyl)undecanoic acid methyl ester iodide IUPAC Name: methyl 10-hydroxy-11-(1-methylpiperidin-1-ium-1-yl)undecanoate iodide Traditional Name: 10-hydroxy-11-(1-methylpiperidin-1-ium-1-yl)undecanoic acid methyl ester iodide Formula: C18H36INO3 MolecularWeight: 441.38781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CC(CCCCCCCCC(=O)OC)O.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CC(CCCCCCCCC(=O)OC)O.[I-]

InChI

InChI=1S/C18H36NO3.HI/c1-19(14-10-7-11-15-19)16-17(20)12-8-5-3-4-6-9-13-18(21)22-2;/h17,20H,3-16H2,1-2H3;1H/q+1;/p-1