azanium (E)-2,4,4,5-tetramethylhenicos-2-enamide bromide

Systemtic Name: azanium (E)-2,4,4,5-tetramethylhenicos-2-enamide bromide Openeye Name: ammonium (E)-2,4,4,5-tetramethylhenicos-2-enamide bromide CAS Name: ammonium (E)-2,4,4,5-tetramethyl-2-heneicosenamide bromide IUPAC Name: azanium (E)-2,4,4,5-tetramethylhenicos-2-enamide bromide Traditional Name: ammonium (E)-2,4,4,5-tetramethylheneicos-2-enamide bromide Formula: C25H53BrN2O MolecularWeight: 477.60512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C(C)(C)C=C(C)C(=O)N.[NH4+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C(C)(C)/C=C(\C)/C(=O)N.[NH4+].[Br-]

InChI

InChI=1S/C25H49NO.BrH.H3N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(3)25(4,5)21-22(2)24(26)27;;/h21,23H,6-20H2,1-5H3,(H2,26,27);1H;1H3/b22-21+;;