2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl hexadecanoate; methyl sulfate

Systemtic Name: 2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl hexadecanoate; methyl sulfate Openeye Name: 2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl hexadecanoate; methyl sulfate CAS Name: hexadecanoic acid 2-[1,4-dimethyl-4-[2-(1-oxohexadecoxy)ethyl]-1-piperazine-1,4-diiumyl]ethyl ester; methyl sulfate IUPAC Name: 2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethylpiperazine-1,4-diium-1-yl]ethyl hexadecanoate; methyl sulfate Traditional Name: methyl sulfate; palmitic acid 2-[4-(2-hexadecanoyloxyethyl)-1,4-dimethyl-piperazine-1,4-diium-1-yl]ethyl ester Formula: C44H90N2O12S2 MolecularWeight: 903.3216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC[N+]1(CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC[N+]1(CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]

InChI

InChI=1S/C42H84N2O4.2CH4O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-41(45)47-39-37-43(3)33-35-44(4,36-34-43)38-40-48-42(46)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;2*1-5-6(2,3)4/h5-40H2,1-4H3;2*1H3,(H,2,3,4)/q+2;;/p-2