3-[1-hexadecyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]propyl-trimethyl-azanium; methyl sulfate

Systemtic Name: 3-[1-hexadecyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-yl]propyl-trimethyl-azanium; methyl sulfate Openeye Name: 3-(1-hexadecyl-2,5-dioxo-pyrrolidin-1-ium-1-yl)propyl-trimethyl-ammonium; methyl sulfate CAS Name: 3-(1-hexadecyl-2,5-dioxo-1-pyrrolidin-1-iumyl)propyl-trimethylammonium; methyl sulfate IUPAC Name: 3-(1-hexadecyl-2,5-dioxopyrrolidin-1-ium-1-yl)propyl-trimethylazanium; methyl sulfate Traditional Name: 3-(1-cetyl-2,5-diketo-pyrrolidin-1-ium-1-yl)propyl-trimethyl-ammonium; methyl sulfate Formula: C27H55N2O6S+ MolecularWeight: 535.8004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(C(=O)CCC1=O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(C(=O)CCC1=O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C26H52N2O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28(24-19-22-27(2,3)4)25(29)20-21-26(28)30;1-5-6(2,3)4/h5-24H2,1-4H3;1H3,(H,2,3,4)/q+2;/p-1