2,3-di(hexadecanoyloxy)propyl 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: 2,3-di(hexadecanoyloxy)propyl 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylate Openeye Name: 2,3-di(hexadecanoyloxy)propyl 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylic acid 2,3-bis(1-oxohexadecoxy)propyl ester IUPAC Name: 2,3-di(hexadecanoyloxy)propyl 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-methyl-1,4-diazoniabicyclo[2.2.2]octane-4-carboxylic acid 2,3-di(hexadecanoyloxy)propyl ester Formula: C43H82N2O6+2 MolecularWeight: 723.12098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[N+]12CC[N+](CC1)(CC2)C)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)[N+]12CC[N+](CC1)(CC2)C)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C43H82N2O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-41(46)49-38-40(39-50-43(48)45-35-32-44(3,33-36-45)34-37-45)51-42(47)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h40H,4-39H2,1-3H3/q+2