[(2S)-2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-(4-chloro-2,6-dimethylphenoxy)-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-(4-chloro-2,6-dimethylphenoxy)acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-(4-chloro-2,6-dimethyl-phenoxy)acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC(C[NH+](C)C)C2=CC=CC=C2)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2)C)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-14-10-17(21)11-15(2)20(14)25-13-19(24)22-18(12-23(3)4)16-8-6-5-7-9-16/h5-11,18H,12-13H2,1-4H3,(H,22,24)/p+1/t18-/m1/s1