bis[5-(1-methylpiperidin-1-ium-1-yl)pentyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide

Systemtic Name: bis[5-(1-methylpiperidin-1-ium-1-yl)pentyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Openeye Name: bis[5-(1-methylpiperidin-1-ium-1-yl)pentyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[5-(1-methyl-1-piperidin-1-iumyl)pentyl] ester diiodide IUPAC Name: bis[5-(1-methylpiperidin-1-ium-1-yl)pentyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[5-(1-methylpiperidin-1-ium-1-yl)pentyl] ester diiodide Formula: C40H60I2N2O4 MolecularWeight: 886.72434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H60N2O4.2HI/c1-41(25-13-5-14-26-41)29-17-7-19-31-45-39(43)37-35(33-21-9-3-10-22-33)38(36(37)34-23-11-4-12-24-34)40(44)46-32-20-8-18-30-42(2)27-15-6-16-28-42;;/h3-4,9-12,21-24,35-38H,5-8,13-20,25-32H2,1-2H3;2*1H/q+2;;/p-2