5-[3-(1-methylazepan-1-ium-1-yl)propanoyloxy]pentyl 3-(1-methylazepan-1-ium-1-yl)propanoate diiodide

Systemtic Name: 5-[3-(1-methylazepan-1-ium-1-yl)propanoyloxy]pentyl 3-(1-methylazepan-1-ium-1-yl)propanoate diiodide Openeye Name: 5-[3-(1-methylazepan-1-ium-1-yl)propanoyloxy]pentyl 3-(1-methylazepan-1-ium-1-yl)propanoate diiodide CAS Name: 3-(1-methyl-1-azepan-1-iumyl)propanoic acid 5-[3-(1-methyl-1-azepan-1-iumyl)-1-oxopropoxy]pentyl ester diiodide IUPAC Name: 5-[3-(1-methylazepan-1-ium-1-yl)propanoyloxy]pentyl 3-(1-methylazepan-1-ium-1-yl)propanoate diiodide Traditional Name: 3-(1-methylazepan-1-ium-1-yl)propionic acid 5-[3-(1-methylazepan-1-ium-1-yl)propanoyloxy]pentyl ester diiodide Formula: C25H48I2N2O4 MolecularWeight: 694.46856

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC1)CCC(=O)OCCCCCOC(=O)CC[N+]2(CCCCCC2)C.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCCC1)CCC(=O)OCCCCCOC(=O)CC[N+]2(CCCCCC2)C.[I-].[I-]

InChI

InChI=1S/C25H48N2O4.2HI/c1-26(16-8-3-4-9-17-26)20-14-24(28)30-22-12-7-13-23-31-25(29)15-21-27(2)18-10-5-6-11-19-27;;/h3-23H2,1-2H3;2*1H/q+2;;/p-2