dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-ynyl-azanium bromide

Systemtic Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-ynyl-azanium bromide Openeye Name: dimethyl-[1-(2-phenylethynyl)but-3-enyl]-prop-2-ynyl-ammonium bromide CAS Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-ynylammonium bromide IUPAC Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-ynylazanium bromide Traditional Name: dimethyl-[1-(2-phenylethynyl)but-3-enyl]-propargyl-ammonium bromide Formula: C17H20BrN MolecularWeight: 318.2514

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC#C)C(CC=C)C#CC1=CC=CC=C1.[Br-]

Isomeric SMILES

C[N+](C)(CC#C)C(CC=C)C#CC1=CC=CC=C1.[Br-]

InChI

InChI=1S/C17H20N.BrH/c1-5-10-17(18(3,4)15-6-2)14-13-16-11-8-7-9-12-16;/h2,5,7-9,11-12,17H,1,10,15H2,3-4H3;1H/q+1;/p-1