methanesulfonate; 3-[2-methoxy-3-(octadecylcarbamoyloxy)propyl]sulfonylpropyl-trimethyl-azanium

Systemtic Name: methanesulfonate; 3-[2-methoxy-3-(octadecylcarbamoyloxy)propyl]sulfonylpropyl-trimethyl-azanium Openeye Name: methanesulfonate; 3-[2-methoxy-3-(octadecylcarbamoyloxy)propyl]sulfonylpropyl-trimethyl-ammonium CAS Name: methanesulfonate; 3-[2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl]sulfonylpropyl-trimethylammonium IUPAC Name: methanesulfonate; 3-[2-methoxy-3-(octadecylcarbamoyloxy)propyl]sulfonylpropyl-trimethylazanium Traditional Name: 3-[2-methoxy-3-(stearylcarbamoyloxy)propyl]sulfonylpropyl-trimethyl-ammonium mesylate Formula: C30H64N2O8S2 MolecularWeight: 644.96776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CS(=O)(=O)CCC[N+](C)(C)C)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CS(=O)(=O)CCC[N+](C)(C)C)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C29H60N2O5S.CH4O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-29(32)36-26-28(35-5)27-37(33,34)25-22-24-31(2,3)4;1-5(2,3)4/h28H,6-27H2,1-5H3;1H3,(H,2,3,4)