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

Systemtic Name: bis[3-(1-methylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Openeye Name: bis[3-(1-methylpiperidin-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-piperidin-1-iumyl)propyl] ester diiodide IUPAC Name: bis[3-(1-methylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-methylpiperidin-1-ium-1-yl)propyl] ester diiodide Formula: C36H52I2N2O4 MolecularWeight: 830.61802

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-]

InChI

InChI=1S/C36H52N2O4.2HI/c1-37(21-11-5-12-22-37)25-15-27-41-35(39)33-31(29-17-7-3-8-18-29)34(32(33)30-19-9-4-10-20-30)36(40)42-28-16-26-38(2)23-13-6-14-24-38;;/h3-4,7-10,17-20,31-34H,5-6,11-16,21-28H2,1-2H3;2*1H/q+2;;/p-2