[3-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-azanium bromide

Systemtic Name: [3-(3,4-dimethoxyphenyl)-3-oxidanylidene-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-azanium bromide Openeye Name: [3-(3,4-dimethoxyphenyl)-3-oxo-propyl]-[(3,5-dimethylphenyl)methyl]-dimethyl-ammonium bromide CAS Name: [3-(3,4-dimethoxyphenyl)-3-oxopropyl]-[(3,5-dimethylphenyl)methyl]-dimethylammonium bromide IUPAC Name: [3-(3,4-dimethoxyphenyl)-3-oxopropyl]-[(3,5-dimethylphenyl)methyl]-dimethylazanium bromide Traditional Name: [3-(3,4-dimethoxyphenyl)-3-keto-propyl]-(3,5-dimethylbenzyl)-dimethyl-ammonium bromide Formula: C22H30BrNO3 MolecularWeight: 436.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2)OC)OC)C.[Br-]

Isomeric SMILES

CC1=CC(=CC(=C1)C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2)OC)OC)C.[Br-]

InChI

InChI=1S/C22H30NO3.BrH/c1-16-11-17(2)13-18(12-16)15-23(3,4)10-9-20(24)19-7-8-21(25-5)22(14-19)26-6;/h7-8,11-14H,9-10,15H2,1-6H3;1H/q+1;/p-1