[(1S)-2-[2-(4-cyanophenoxy)ethanoylamino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[2-(4-cyanophenoxy)ethanoylamino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(4-cyanophenoxy)-1-oxoethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[2-(4-cyanophenoxy)acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)COC1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)COC1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O2/c1-3-24(4-2)20(18-8-6-5-7-9-18)15-23-21(25)16-26-19-12-10-17(14-22)11-13-19/h5-13,20H,3-4,15-16H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1