methanesulfonate; trimethyl-[3-[2-(methylcarbamoyloxy)-3-octadecoxy-propyl]sulfonylpropyl]azanium

Systemtic Name: methanesulfonate; trimethyl-[3-[2-(methylcarbamoyloxy)-3-octadecoxy-propyl]sulfonylpropyl]azanium Openeye Name: methanesulfonate; trimethyl-[3-[2-(methylcarbamoyloxy)-3-octadecoxy-propyl]sulfonylpropyl]ammonium CAS Name: methanesulfonate; trimethyl-[3-[2-(methylcarbamoyloxy)-3-octadecoxypropyl]sulfonylpropyl]ammonium IUPAC Name: methanesulfonate; trimethyl-[3-[2-(methylcarbamoyloxy)-3-octadecoxypropyl]sulfonylpropyl]azanium Traditional Name: trimethyl-[3-[2-(methylcarbamoyloxy)-3-stearyloxy-propyl]sulfonylpropyl]ammonium mesylate Formula: C30H64N2O8S2 MolecularWeight: 644.96776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+](C)(C)C)OC(=O)NC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+](C)(C)C)OC(=O)NC.CS(=O)(=O)[O-]

InChI

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