hexadecyl-dimethyl-phenacyl-azanium bromide

Systemtic Name: hexadecyl-dimethyl-phenacyl-azanium bromide Openeye Name: hexadecyl-dimethyl-phenacyl-ammonium bromide CAS Name: hexadecyl-dimethyl-phenacylammonium bromide IUPAC Name: hexadecyl-dimethyl-phenacylazanium bromide Traditional Name: cetyl-dimethyl-phenacyl-ammonium bromide Formula: C26H46BrNO MolecularWeight: 468.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H46NO.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(2,3)24-26(28)25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1