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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C.[Br-].[Br-]

Isomeric SMILES

C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C.[Br-].[Br-]

InChI

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