[2-[[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-(2-bromo-4,5-dimethoxyphenyl)-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-(2-bromo-4,5-dimethoxy-phenyl)acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1CNC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1CNC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C20H25BrN2O3/c1-23(2)13-15-8-6-5-7-14(15)12-22-20(24)10-16-9-18(25-3)19(26-4)11-17(16)21/h5-9,11H,10,12-13H2,1-4H3,(H,22,24)/p+1