[(2S)-1-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C20H26ClN2O2+ MolecularWeight: 361.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NCC(CC2=CC=CC=C2)[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC[C@H](CC2=CC=CC=C2)[NH+](C)C)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-15-11-18(9-10-19(15)21)25-14-20(24)22-13-17(23(2)3)12-16-7-5-4-6-8-16/h4-11,17H,12-14H2,1-3H3,(H,22,24)/p+1/t17-/m0/s1