2-[4-(2-hexadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl hexadecanoate; methanesulfonate

Systemtic Name: 2-[4-(2-hexadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl hexadecanoate; methanesulfonate Openeye Name: 2-[4-(2-hexadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl hexadecanoate; methanesulfonate CAS Name: hexadecanoic acid 2-[4-methyl-4-[2-(1-oxohexadecoxy)ethyl]-1-piperazin-4-iumyl]ethyl ester; methanesulfonate IUPAC Name: 2-[4-(2-hexadecanoyloxyethyl)-4-methylpiperazin-4-ium-1-yl]ethyl hexadecanoate; methanesulfonate Traditional Name: palmitic acid 2-[4-(2-hexadecanoyloxyethyl)-4-methyl-piperazin-4-ium-1-yl]ethyl ester mesylate Formula: C42H84N2O7S MolecularWeight: 761.19056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCN1CC[N+](CC1)(C)CCOC(=O)CCCCCCCCCCCCCCC.CS(=O)(=O)[O-]

InChI

InChI=1S/C41H81N2O4.CH4O3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40(44)46-38-34-42-32-35-43(3,36-33-42)37-39-47-41(45)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5(2,3)4/h4-39H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1