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

Systemtic Name: dimethyl-[(2S)-1-phenyl-3-[2-(4-propanoylphenoxy)ethanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-phenyl-3-[[2-(4-propanoylphenoxy)acetyl]amino]propan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[2-(4-propionylphenoxy)acetyl]amino]ethyl]-dimethyl-ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-4-21(25)18-10-12-20(13-11-18)27-16-22(26)23-15-19(24(2)3)14-17-8-6-5-7-9-17/h5-13,19H,4,14-16H2,1-3H3,(H,23,26)/p+1/t19-/m0/s1