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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C20H25BrN2O3/c1-23(2)13-17(14-8-6-5-7-9-14)22-20(24)11-15-10-18(25-3)19(26-4)12-16(15)21/h5-10,12,17H,11,13H2,1-4H3,(H,22,24)/p+1/t17-/m1/s1