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

Systemtic Name: bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Openeye Name: bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[2-(1-methyl-1-piperidin-1-iumyl)ethyl] ester IUPAC Name: bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[2-(1-methylpiperidin-1-ium-1-yl)ethyl] ester Formula: C34H48N2O4+2 MolecularWeight: 548.75592

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCC[N+]4(CCCCC4)C)C5=CC=CC=C5

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCC[N+]4(CCCCC4)C)C5=CC=CC=C5

InChI

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