ethyl 1-[2-acetyloxy-3-[5-[2-acetyloxy-3-(3-ethoxycarbonyl-1-methyl-piperidin-1-ium-1-yl)propanoyl]oxypentoxy]-3-oxidanylidene-propyl]-1-methyl-piperidin-1-ium-3-carboxylate diiodide

Systemtic Name: ethyl 1-[2-acetyloxy-3-[5-[2-acetyloxy-3-(3-ethoxycarbonyl-1-methyl-piperidin-1-ium-1-yl)propanoyl]oxypentoxy]-3-oxidanylidene-propyl]-1-methyl-piperidin-1-ium-3-carboxylate diiodide Openeye Name: ethyl 1-[2-acetoxy-3-[5-[2-acetoxy-3-(3-ethoxycarbonyl-1-methyl-piperidin-1-ium-1-yl)propanoyl]oxypentoxy]-3-oxo-propyl]-1-methyl-piperidin-1-ium-3-carboxylate diiodide CAS Name: 1-[2-acetyloxy-3-[5-[2-acetyloxy-3-(3-ethoxycarbonyl-1-methyl-1-piperidin-1-iumyl)-1-oxopropoxy]pentoxy]-3-oxopropyl]-1-methyl-3-piperidin-1-iumcarboxylic acid ethyl ester diiodide IUPAC Name: ethyl 1-[2-acetyloxy-3-[5-[2-acetyloxy-3-(3-ethoxycarbonyl-1-methylpiperidin-1-ium-1-yl)propanoyl]oxypentoxy]-3-oxopropyl]-1-methylpiperidin-1-ium-3-carboxylate diiodide Traditional Name: 1-[2-acetoxy-3-[5-[2-acetoxy-3-(3-carbethoxy-1-methyl-piperidin-1-ium-1-yl)propanoyl]oxypentoxy]-3-keto-propyl]-1-methyl-piperidin-1-ium-3-carboxylic acid ethyl ester diiodide Formula: C33H56I2N2O12 MolecularWeight: 926.61288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[N+](C1)(C)CC(C(=O)OCCCCCOC(=O)C(C[N+]2(CCCC(C2)C(=O)OCC)C)OC(=O)C)OC(=O)C.[I-].[I-]

Isomeric SMILES

CCOC(=O)C1CCC[N+](C1)(C)CC(C(=O)OCCCCCOC(=O)C(C[N+]2(CCCC(C2)C(=O)OCC)C)OC(=O)C)OC(=O)C.[I-].[I-]

InChI

InChI=1S/C33H56N2O12.2HI/c1-7-42-30(38)26-14-12-16-34(5,20-26)22-28(46-24(3)36)32(40)44-18-10-9-11-19-45-33(41)29(47-25(4)37)23-35(6)17-13-15-27(21-35)31(39)43-8-2;;/h26-29H,7-23H2,1-6H3;2*1H/q+2;;/p-2