O1'-[4-(4-decoxyphenoxy)phenyl]carbonyl O1-octyl piperidin-1-ium-1,1-dicarboxylate

Systemtic Name: O1'-[4-(4-decoxyphenoxy)phenyl]carbonyl O1-octyl piperidin-1-ium-1,1-dicarboxylate Openeye Name: O1'-[4-(4-decoxyphenoxy)benzoyl] O1-octyl piperidin-1-ium-1,1-dicarboxylate CAS Name: piperidin-1-ium-1,1-dicarboxylic acid O1'-[[4-(4-decoxyphenoxy)phenyl]-oxomethyl] ester O1-octyl ester IUPAC Name: 1-O'-[4-(4-decoxyphenoxy)benzoyl] 1-O-octyl piperidin-1-ium-1,1-dicarboxylate Traditional Name: piperidin-1-ium-1,1-dicarboxylic acid O1'-[4-(4-decoxyphenoxy)benzoyl] ester O1-octyl ester Formula: C38H56NO7+ MolecularWeight: 638.85374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OC(=O)[N+]3(CCCCC3)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)OC(=O)[N+]3(CCCCC3)C(=O)OCCCCCCCC

InChI

InChI=1S/C38H56NO7/c1-3-5-7-9-11-12-14-18-30-43-33-24-26-35(27-25-33)45-34-22-20-32(21-23-34)36(40)46-38(42)39(28-16-15-17-29-39)37(41)44-31-19-13-10-8-6-4-2/h20-27H,3-19,28-31H2,1-2H3/q+1