dimethyl-phenacyl-(4-prop-2-enoxybut-2-ynyl)azanium bromide

Systemtic Name: dimethyl-phenacyl-(4-prop-2-enoxybut-2-ynyl)azanium bromide Openeye Name: 4-allyloxybut-2-ynyl-dimethyl-phenacyl-ammonium bromide CAS Name: dimethyl-phenacyl-(4-prop-2-enoxybut-2-ynyl)ammonium bromide IUPAC Name: dimethyl-phenacyl-(4-prop-2-enoxybut-2-ynyl)azanium bromide Traditional Name: 4-allyloxybut-2-ynyl-dimethyl-phenacyl-ammonium bromide Formula: C17H22BrNO2 MolecularWeight: 352.26608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO2.BrH/c1-4-13-20-14-9-8-12-18(2,3)15-17(19)16-10-6-5-7-11-16;/h4-7,10-11H,1,12-15H2,2-3H3;1H/q+1;/p-1