trimethyl-[(E)-octadec-9-enoyl]azanium bromide

Systemtic Name: trimethyl-[(E)-octadec-9-enoyl]azanium bromide Openeye Name: trimethyl-[(E)-octadec-9-enoyl]ammonium bromide CAS Name: trimethyl-[(E)-1-oxooctadec-9-enyl]ammonium bromide IUPAC Name: trimethyl-[(E)-octadec-9-enoyl]azanium bromide Traditional Name: trimethyl-[(E)-octadec-9-enoyl]ammonium bromide Formula: C21H42BrNO MolecularWeight: 404.46828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+](C)(C)C.[Br-]

InChI

InChI=1S/C21H42NO.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(23)22(2,3)4;/h12-13H,5-11,14-20H2,1-4H3;1H/q+1;/p-1/b13-12+;