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

Systemtic Name: diethyl-[(2S)-1-phenyl-3-[2-(4-propanoylphenoxy)ethanoylamino]propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[2-(4-propanoylphenoxy)acetyl]amino]ethyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-1-[[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: diethyl-[(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]-diethyl-ammonium Formula: C24H33N2O3+ MolecularWeight: 397.53042

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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+](CC)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O3/c1-4-23(27)20-12-14-22(15-13-20)29-18-24(28)25-17-21(26(5-2)6-3)16-19-10-8-7-9-11-19/h7-15,21H,4-6,16-18H2,1-3H3,(H,25,28)/p+1/t21-/m0/s1