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

Systemtic Name: bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Openeye Name: bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-ethyl-1-piperidin-1-iumyl)propyl] ester IUPAC Name: bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-(1-ethylpiperidin-1-ium-1-yl)propyl] ester Formula: C38H56N2O4+2 MolecularWeight: 604.86224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O4/c1-3-39(23-13-7-14-24-39)27-17-29-43-37(41)35-33(31-19-9-5-10-20-31)36(34(35)32-21-11-6-12-22-32)38(42)44-30-18-28-40(4-2)25-15-8-16-26-40/h5-6,9-12,19-22,33-36H,3-4,7-8,13-18,23-30H2,1-2H3/q+2