trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[4-(2-phenylethynyl)phenyl]carbonylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[4-(2-phenylethynyl)phenyl]carbonylamino]butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-[[4-(2-phenylethynyl)benzoyl]amino]butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-[[4-(2-phenylethynyl)benzoyl]amino]butyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[4-(2-phenylethynyl)benzoyl]amino]butyl]-trimethyl-ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3/c1-24(2,3)16-20(15-21(25)26)23-22(27)19-13-11-18(12-14-19)10-9-17-7-5-4-6-8-17/h4-8,11-14,20H,15-16H2,1-3H3,(H-,23,25,26,27)/p+1/t20-/m1/s1