diethyl-[2-[[4-(2-phenylethynyl)phenyl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[4-(2-phenylethynyl)phenyl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[4-(2-phenylethynyl)benzoyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[4-(2-phenylethynyl)benzoyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[4-(2-phenylethynyl)benzoyl]amino]ethyl]ammonium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O/c1-3-23(4-2)17-16-22-21(24)20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-9,12-15H,3-4,16-17H2,1-2H3,(H,22,24)/p+1