[(1S)-2-[[4-(2-cyanoethanoylamino)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[4-(2-cyanoethanoylamino)phenyl]carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[4-[(2-cyanoacetyl)amino]benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[4-[(2-cyanoacetyl)amino]benzoyl]amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[4-[(2-cyanoacetyl)amino]benzoyl]amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C20H23N4O2+ MolecularWeight: 351.42222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-24(2)18(15-6-4-3-5-7-15)14-22-20(26)16-8-10-17(11-9-16)23-19(25)12-13-21/h3-11,18H,12,14H2,1-2H3,(H,22,26)(H,23,25)/p+1/t18-/m1/s1