[(E)-3-cyanoprop-2-enyl]-dimethyl-(2-methyl-6-methylidene-octa-1,7-dien-3-yl)azanium bromide

Systemtic Name: [(E)-3-cyanoprop-2-enyl]-dimethyl-(2-methyl-6-methylidene-octa-1,7-dien-3-yl)azanium bromide Openeye Name: [(E)-3-cyanoallyl]-(1-isopropenyl-4-methylene-hex-5-enyl)-dimethyl-ammonium bromide CAS Name: [(E)-3-cyanoprop-2-enyl]-dimethyl-(2-methyl-6-methyleneocta-1,7-dien-3-yl)ammonium bromide IUPAC Name: [(E)-3-cyanoprop-2-enyl]-dimethyl-(2-methyl-6-methylideneocta-1,7-dien-3-yl)azanium bromide Traditional Name: [(E)-3-cyanoallyl]-(1-isopropenyl-4-methylene-hex-5-enyl)-dimethyl-ammonium bromide Formula: C16H25BrN2 MolecularWeight: 325.2871

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=C)C(CCC(=C)C=C)[N+](C)(C)C/C=C/C#N.[Br-]

InChI

InChI=1S/C16H25N2.BrH/c1-7-15(4)10-11-16(14(2)3)18(5,6)13-9-8-12-17;/h7-9,16H,1-2,4,10-11,13H2,3,5-6H3;1H/q+1;/p-1/b9-8+;