[5-[dimethyl-(4-prop-2-enylphenyl)azaniumyl]-3-oxidanylidene-pentyl]-dimethyl-(4-prop-2-enylphenyl)azanium dibromide

Systemtic Name: [5-[dimethyl-(4-prop-2-enylphenyl)azaniumyl]-3-oxidanylidene-pentyl]-dimethyl-(4-prop-2-enylphenyl)azanium dibromide Openeye Name: (4-allylphenyl)-[5-[(4-allylphenyl)-dimethyl-ammonio]-3-oxo-pentyl]-dimethyl-ammonium dibromide CAS Name: [5-[dimethyl-(4-prop-2-enylphenyl)ammonio]-3-oxopentyl]-dimethyl-(4-prop-2-enylphenyl)ammonium dibromide IUPAC Name: [5-[dimethyl-(4-prop-2-enylphenyl)azaniumyl]-3-oxopentyl]-dimethyl-(4-prop-2-enylphenyl)azanium dibromide Traditional Name: (4-allylphenyl)-[5-[(4-allylphenyl)-dimethyl-ammonio]-3-keto-pentyl]-dimethyl-ammonium dibromide Formula: C27H38Br2N2O MolecularWeight: 566.41142

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CCC(=O)CC[N+](C)(C)C1=CC=C(C=C1)CC=C)C2=CC=C(C=C2)CC=C.[Br-].[Br-]

InChI

InChI=1S/C27H38N2O.2BrH/c1-7-9-23-11-15-25(16-12-23)28(3,4)21-19-27(30)20-22-29(5,6)26-17-13-24(10-8-2)14-18-26;;/h7-8,11-18H,1-2,9-10,19-22H2,3-6H3;2*1H/q+2;;/p-2