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

Systemtic Name: 1,3-bis(1-methylazepan-1-ium-1-yl)propan-2-yl propanoate diiodide Openeye Name: [2-(1-methylazepan-1-ium-1-yl)-1-[(1-methylazepan-1-ium-1-yl)methyl]ethyl] propanoate diiodide CAS Name: propanoic acid 1,3-bis(1-methyl-1-azepan-1-iumyl)propan-2-yl ester diiodide IUPAC Name: 1,3-bis(1-methylazepan-1-ium-1-yl)propan-2-yl propanoate diiodide Traditional Name: propionic acid [2-(1-methylazepan-1-ium-1-yl)-1-[(1-methylazepan-1-ium-1-yl)methyl]ethyl] ester diiodide Formula: C20H40I2N2O2 MolecularWeight: 594.35274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H40N2O2.2HI/c1-4-20(23)24-19(17-21(2)13-9-5-6-10-14-21)18-22(3)15-11-7-8-12-16-22;;/h19H,4-18H2,1-3H3;2*1H/q+2;;/p-2