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

Systemtic Name: methyl sulfate; trimethyl-[3-[3-octadecyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]propyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-(3-octadecyl-2,5-dioxo-pyrrolidin-1-yl)propyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-(3-octadecyl-2,5-dioxo-1-pyrrolidinyl)propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-(3-octadecyl-2,5-dioxopyrrolidin-1-yl)propyl]azanium Traditional Name: 3-(2,5-diketo-3-stearyl-pyrrolidino)propyl-trimethyl-ammonium; methyl sulfate Formula: C29H58N2O6S MolecularWeight: 562.84562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1CC(=O)N(C1=O)CCC[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C28H55N2O2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-25-27(31)29(28(26)32)23-21-24-30(2,3)4;1-5-6(2,3)4/h26H,5-25H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1