(E)-2-diazonio-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate

Systemtic Name: (E)-2-diazonio-1-[[(2S)-1-oxidanylidene-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate Openeye Name: (E)-1-[[(1S)-1-benzyl-2-oxo-2-(3-phenylpropylamino)ethyl]amino]-2-diazonio-ethenolate CAS Name: (E)-2-diazonio-1-[[(2S)-1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate IUPAC Name: (E)-2-diazonio-1-[[(2S)-1-oxo-3-phenyl-1-(3-phenylpropylamino)propan-2-yl]amino]ethenolate Traditional Name: (E)-1-[[(1S)-1-benzyl-2-keto-2-(3-phenylpropylamino)ethyl]amino]-2-diazonio-ethenolate Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CC2=CC=CC=C2)NC(=C[N+]#N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)[C@H](CC2=CC=CC=C2)N/C(=C\[N+]#N)/[O-]

InChI

InChI=1S/C20H22N4O2/c21-23-15-19(25)24-18(14-17-10-5-2-6-11-17)20(26)22-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,15,18,24H,7,12-14H2,(H-,22,25,26)/b19-15+/t18-/m0/s1