[3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-[(2-methylphenyl)methyl]azanium bromide

Systemtic Name: [3-(2-bromanyl-4,5-dimethoxy-phenyl)-3-oxidanylidene-propyl]-dimethyl-[(2-methylphenyl)methyl]azanium bromide Openeye Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-oxo-propyl]-dimethyl-(o-tolylmethyl)ammonium bromide CAS Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethyl-[(2-methylphenyl)methyl]ammonium bromide IUPAC Name: [3-(2-bromo-4,5-dimethoxyphenyl)-3-oxopropyl]-dimethyl-[(2-methylphenyl)methyl]azanium bromide Traditional Name: [3-(2-bromo-4,5-dimethoxy-phenyl)-3-keto-propyl]-dimethyl-(2-methylbenzyl)ammonium bromide Formula: C21H27Br2NO3 MolecularWeight: 501.25198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2Br)OC)OC.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C[N+](C)(C)CCC(=O)C2=CC(=C(C=C2Br)OC)OC.[Br-]

InChI

InChI=1S/C21H27BrNO3.BrH/c1-15-8-6-7-9-16(15)14-23(2,3)11-10-19(24)17-12-20(25-4)21(26-5)13-18(17)22;/h6-9,12-13H,10-11,14H2,1-5H3;1H/q+1;/p-1