[(6E)-2,6-dimethyl-8-phenylmethoxy-octa-1,6-dien-3-yl]-dimethyl-prop-2-ynyl-azanium bromide

Systemtic Name: [(6E)-2,6-dimethyl-8-phenylmethoxy-octa-1,6-dien-3-yl]-dimethyl-prop-2-ynyl-azanium bromide Openeye Name: [(E)-6-benzyloxy-1-isopropenyl-4-methyl-hex-4-enyl]-dimethyl-prop-2-ynyl-ammonium bromide CAS Name: [(6E)-2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-yl]-dimethyl-prop-2-ynylammonium bromide IUPAC Name: [(6E)-2,6-dimethyl-8-phenylmethoxyocta-1,6-dien-3-yl]-dimethyl-prop-2-ynylazanium bromide Traditional Name: [(E)-6-benzoxy-1-isopropenyl-4-methyl-hex-4-enyl]-dimethyl-propargyl-ammonium bromide Formula: C22H32BrNO MolecularWeight: 406.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(CCC(=CCOCC1=CC=CC=C1)C)[N+](C)(C)CC#C.[Br-]

Isomeric SMILES

CC(=C)C(CC/C(=C/COCC1=CC=CC=C1)/C)[N+](C)(C)CC#C.[Br-]

InChI

InChI=1S/C22H32NO.BrH/c1-7-16-23(5,6)22(19(2)3)14-13-20(4)15-17-24-18-21-11-9-8-10-12-21;/h1,8-12,15,22H,2,13-14,16-18H2,3-6H3;1H/q+1;/p-1/b20-15+;