but-2-ynyl-dimethyl-phenacyl-azanium bromide

Systemtic Name: but-2-ynyl-dimethyl-phenacyl-azanium bromide Openeye Name: but-2-ynyl-dimethyl-phenacyl-ammonium bromide CAS Name: but-2-ynyl-dimethyl-phenacylammonium bromide IUPAC Name: but-2-ynyl-dimethyl-phenacylazanium bromide Traditional Name: but-2-ynyl-dimethyl-phenacyl-ammonium bromide Formula: C14H18BrNO MolecularWeight: 296.20282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO.BrH/c1-4-5-11-15(2,3)12-14(16)13-9-7-6-8-10-13;/h6-10H,11-12H2,1-3H3;1H/q+1;/p-1