(1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate

Systemtic Name: (1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)ethanoate Openeye Name: (1-hexadecyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylammonio)acetate CAS Name: (1-hexadecyl-1,4-dimethyl-3-pyrrolidin-1-iumyl)methanesulfonic acid; 2-(trimethylammonio)acetate IUPAC Name: (1-hexadecyl-1,4-dimethylpyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylazaniumyl)acetate Traditional Name: (1-cetyl-1,4-dimethyl-pyrrolidin-1-ium-3-yl)methanesulfonic acid; 2-(trimethylammonio)acetate Formula: C28H59N2O5S+ MolecularWeight: 535.84346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC(C(C1)CS(=O)(=O)O)C)C.C[N+](C)(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC(C(C1)CS(=O)(=O)O)C)C.C[N+](C)(C)CC(=O)[O-]

InChI

InChI=1S/C23H47NO3S.C5H11NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(3)19-22(2)23(20-24)21-28(25,26)27;1-6(2,3)4-5(7)8/h22-23H,4-21H2,1-3H3;4H2,1-3H3/p+1