dimethyl-[3-(2-methylprop-2-enoyloxy)octadecyl]-(2-oxidanylpropyl)azanium; methyl sulfate

Systemtic Name: dimethyl-[3-(2-methylprop-2-enoyloxy)octadecyl]-(2-oxidanylpropyl)azanium; methyl sulfate Openeye Name: 2-hydroxypropyl-dimethyl-[3-(2-methylprop-2-enoyloxy)octadecyl]ammonium; methyl sulfate CAS Name: 2-hydroxypropyl-dimethyl-[3-(2-methyl-1-oxoprop-2-enoxy)octadecyl]ammonium; methyl sulfate IUPAC Name: 2-hydroxypropyl-dimethyl-[3-(2-methylprop-2-enoyloxy)octadecyl]azanium; methyl sulfate Traditional Name: 2-hydroxypropyl-(3-methacryloyloxyoctadecyl)-dimethyl-ammonium; methyl sulfate Formula: C28H57NO7S MolecularWeight: 551.81968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CC[N+](C)(C)CC(C)O)OC(=O)C(=C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(CC[N+](C)(C)CC(C)O)OC(=O)C(=C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C27H54NO3.CH4O4S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(31-27(30)24(2)3)21-22-28(5,6)23-25(4)29;1-5-6(2,3)4/h25-26,29H,2,7-23H2,1,3-6H3;1H3,(H,2,3,4)/q+1;/p-1