[(1S)-2-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]amino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]amino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[2-(cyanomethylamino)-2-oxo-ethyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(cyanomethylamino)-2-oxoethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[2-(cyanomethylamino)-2-oxoethyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[2-(cyanomethylamino)-2-keto-ethyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C16H25N4O+ MolecularWeight: 289.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNCC(=O)NCC#N)C1=CC=CC=C1

Isomeric SMILES

CC[NH+](CC)[C@H](CNCC(=O)NCC#N)C1=CC=CC=C1

InChI

InChI=1S/C16H24N4O/c1-3-20(4-2)15(14-8-6-5-7-9-14)12-18-13-16(21)19-11-10-17/h5-9,15,18H,3-4,11-13H2,1-2H3,(H,19,21)/p+1/t15-/m1/s1