hexadecyl-[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium bromide

Systemtic Name: hexadecyl-[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-azanium bromide Openeye Name: hexadecyl-[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl]-dimethyl-ammonium bromide CAS Name: hexadecyl-[2-[(E)-3-(4-methoxyphenyl)-1-oxoprop-2-enoxy]ethyl]-dimethylammonium bromide IUPAC Name: hexadecyl-[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxyethyl]-dimethylazanium bromide Traditional Name: cetyl-[2-[(E)-3-(4-methoxyphenyl)acryloyl]oxyethyl]-dimethyl-ammonium bromide Formula: C30H52BrNO3 MolecularWeight: 554.64278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)C=CC1=CC=C(C=C1)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC.[Br-]

InChI

InChI=1S/C30H52NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-31(2,3)26-27-34-30(32)24-21-28-19-22-29(33-4)23-20-28;/h19-24H,5-18,25-27H2,1-4H3;1H/q+1;/p-1/b24-21+;