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

Systemtic Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-enyl-azanium bromide Openeye Name: allyl-dimethyl-[1-(2-phenylethynyl)but-3-enyl]ammonium bromide CAS Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-enylammonium bromide IUPAC Name: dimethyl-(1-phenylhex-5-en-1-yn-3-yl)-prop-2-enylazanium bromide Traditional Name: allyl-dimethyl-[1-(2-phenylethynyl)but-3-enyl]ammonium bromide Formula: C17H22BrN MolecularWeight: 320.26728

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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/C17H22N.BrH/c1-5-10-17(18(3,4)15-6-2)14-13-16-11-8-7-9-12-16;/h5-9,11-12,17H,1-2,10,15H2,3-4H3;1H/q+1;/p-1