diethyl-[2-[(E)-4-hexadecoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]-prop-2-enyl-azanium bromide

Systemtic Name: diethyl-[2-[(E)-4-hexadecoxy-4-oxidanylidene-but-2-enoyl]oxyethyl]-prop-2-enyl-azanium bromide Openeye Name: allyl-diethyl-[2-[(E)-4-hexadecoxy-4-oxo-but-2-enoyl]oxyethyl]ammonium bromide CAS Name: diethyl-[2-[(E)-4-hexadecoxy-1,4-dioxobut-2-enoxy]ethyl]-prop-2-enylammonium bromide IUPAC Name: diethyl-[2-[(E)-4-hexadecoxy-4-oxobut-2-enoyl]oxyethyl]-prop-2-enylazanium bromide Traditional Name: allyl-[2-[(E)-4-cetyloxy-4-keto-but-2-enoyl]oxyethyl]-diethyl-ammonium bromide Formula: C29H54BrNO4 MolecularWeight: 560.64736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCC[N+](CC)(CC)CC=C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCC[N+](CC)(CC)CC=C.[Br-]

InChI

InChI=1S/C29H54NO4.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-26-33-28(31)22-23-29(32)34-27-25-30(7-3,8-4)24-6-2;/h6,22-23H,2,5,7-21,24-27H2,1,3-4H3;1H/q+1;/p-1/b23-22+;