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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H60N2O4.2HI/c1-3-41(25-13-7-14-26-41)29-17-19-31-45-39(43)37-35(33-21-9-5-10-22-33)38(36(37)34-23-11-6-12-24-34)40(44)46-32-20-18-30-42(4-2)27-15-8-16-28-42;;/h5-6,9-12,21-24,35-38H,3-4,7-8,13-20,25-32H2,1-2H3;2*1H/q+2;;/p-2