bis[3-(1-methylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Systemtic Name: bis[3-(1-methylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Openeye Name: bis[3-(1-methylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-methyl-1-pyrrolidin-1-iumyl)propyl] ester diiodide IUPAC Name: bis[3-(1-methylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-methylpyrrolidin-1-ium-1-yl)propyl] ester diiodide Formula: C34H48I2N2O4 MolecularWeight: 802.56486

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCC4)C)C5=CC=CC=C5.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCC4)C)C5=CC=CC=C5.[I-].[I-]

InChI

InChI=1S/C34H48N2O4.2HI/c1-35(19-9-10-20-35)23-13-25-39-33(37)31-29(27-15-5-3-6-16-27)32(30(31)28-17-7-4-8-18-28)34(38)40-26-14-24-36(2)21-11-12-22-36;;/h3-8,15-18,29-32H,9-14,19-26H2,1-2H3;2*1H/q+2;;/p-2