[4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]phenyl]-dimethyl-prop-2-enyl-azanium bromide

Systemtic Name: [4-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethoxy]phenyl]-dimethyl-prop-2-enyl-azanium bromide Openeye Name: allyl-[4-[2-(3,4-dimethoxyphenyl)-2-oxo-ethoxy]phenyl]-dimethyl-ammonium bromide CAS Name: [4-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]phenyl]-dimethyl-prop-2-enylammonium bromide IUPAC Name: [4-[2-(3,4-dimethoxyphenyl)-2-oxoethoxy]phenyl]-dimethyl-prop-2-enylazanium bromide Traditional Name: allyl-[4-[2-(3,4-dimethoxyphenyl)-2-keto-ethoxy]phenyl]-dimethyl-ammonium bromide Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO4.BrH/c1-6-13-22(2,3)17-8-10-18(11-9-17)26-15-19(23)16-7-12-20(24-4)21(14-16)25-5;/h6-12,14H,1,13,15H2,2-5H3;1H/q+1;/p-1