tert-butyl-[(E)-octadec-9-enoyl]azanium bromide

Systemtic Name: tert-butyl-[(E)-octadec-9-enoyl]azanium bromide Openeye Name: tert-butyl-[(E)-octadec-9-enoyl]ammonium bromide CAS Name: tert-butyl-[(E)-1-oxooctadec-9-enyl]ammonium bromide IUPAC Name: tert-butyl-[(E)-octadec-9-enoyl]azanium bromide Traditional Name: tert-butyl-[(E)-octadec-9-enoyl]ammonium bromide Formula: C22H44BrNO MolecularWeight: 418.49486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[NH2+]C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[NH2+]C(C)(C)C.[Br-]

InChI

InChI=1S/C22H43NO.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(24)23-22(2,3)4;/h12-13H,5-11,14-20H2,1-4H3,(H,23,24);1H/b13-12+;