[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-phenylpropan-2-yl)azanium bromide

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-phenylpropan-2-yl)azanium bromide Openeye Name: (1-methyl-2-phenyl-ethyl)-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]ammonium bromide CAS Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-phenylpropan-2-yl)ammonium bromide IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-phenylpropan-2-yl)azanium bromide Traditional Name: [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]-(1-methyl-2-phenyl-ethyl)ammonium bromide Formula: C20H26BrNO4 MolecularWeight: 424.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)[NH2+]CC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Br-]

Isomeric SMILES

CC(CC1=CC=CC=C1)[NH2+]CC(=O)C2=CC(=C(C(=C2)OC)OC)OC.[Br-]

InChI

InChI=1S/C20H25NO4.BrH/c1-14(10-15-8-6-5-7-9-15)21-13-17(22)16-11-18(23-2)20(25-4)19(12-16)24-3;/h5-9,11-12,14,21H,10,13H2,1-4H3;1H