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

Systemtic Name: bis[3-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Openeye Name: bis[3-[1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate CAS Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-[(4-phenylmethoxyphenyl)methyl]-1-piperidin-1-iumyl]propyl] ester IUPAC Name: bis[3-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-1-yl]propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate Traditional Name: 2,4-diphenylcyclobutane-1,3-dicarboxylic acid bis[3-[1-(4-benzoxybenzyl)piperidin-1-ium-1-yl]propyl] ester Formula: C62H72N2O6+2 MolecularWeight: 941.24488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC5=CC=C(C=C5)OCC6=CC=CC=C6)C7=CC=CC=C7)CC8=CC=C(C=C8)OCC9=CC=CC=C9

Isomeric SMILES

C1CC[N+](CC1)(CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCCC4)CC5=CC=C(C=C5)OCC6=CC=CC=C6)C7=CC=CC=C7)CC8=CC=C(C=C8)OCC9=CC=CC=C9

InChI

InChI=1S/C62H72N2O6/c65-61(67-43-19-41-63(37-15-5-16-38-63)45-49-29-33-55(34-30-49)69-47-51-21-7-1-8-22-51)59-57(53-25-11-3-12-26-53)60(58(59)54-27-13-4-14-28-54)62(66)68-44-20-42-64(39-17-6-18-40-64)46-50-31-35-56(36-32-50)70-48-52-23-9-2-10-24-52/h1-4,7-14,21-36,57-60H,5-6,15-20,37-48H2/q+2