[(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxy-ethyl-dimethyl-azanium; methyl sulfate

Systemtic Name: [(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxy-ethyl-dimethyl-azanium; methyl sulfate Openeye Name: [(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxy-ethyl-dimethyl-ammonium; methyl sulfate CAS Name: [(E)-3-(4-dodecoxyphenyl)-1-oxoprop-2-enoxy]-ethyl-dimethylammonium; methyl sulfate IUPAC Name: [(E)-3-(4-dodecoxyphenyl)prop-2-enoyl]oxy-ethyl-dimethylazanium; methyl sulfate Traditional Name: ethyl-[(E)-3-(4-lauryloxyphenyl)acryloyl]oxy-dimethyl-ammonium; methyl sulfate Formula: C26H45NO7S MolecularWeight: 515.703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C=CC(=O)O[N+](C)(C)CC.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)/C=C/C(=O)O[N+](C)(C)CC.COS(=O)(=O)[O-]

InChI

InChI=1S/C25H42NO3.CH4O4S/c1-5-7-8-9-10-11-12-13-14-15-22-28-24-19-16-23(17-20-24)18-21-25(27)29-26(3,4)6-2;1-5-6(2,3)4/h16-21H,5-15,22H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1/b21-18+;