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

Systemtic Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Openeye Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[4-(1-methyl-1-piperidin-1-iumyl)butyl] ester diiodide IUPAC Name: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] ester diiodide Formula: C38H56I2N2O4 MolecularWeight: 858.67118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O4.2HI/c1-39(23-11-5-12-24-39)27-15-17-29-43-37(41)35-33(31-19-7-3-8-20-31)36(34(35)32-21-9-4-10-22-32)38(42)44-30-18-16-28-40(2)25-13-6-14-26-40;;/h3-4,7-10,19-22,33-36H,5-6,11-18,23-30H2,1-2H3;2*1H/q+2;;/p-2