[(1S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanoyl]amino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1,2-dioxoethyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C25H31N4O2+ MolecularWeight: 419.53924

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O2/c1-5-28(6-2)22(20-13-9-7-10-14-20)17-26-25(31)24(30)23-18(3)27-29(19(23)4)21-15-11-8-12-16-21/h7-16,22H,5-6,17H2,1-4H3,(H,26,31)/p+1/t22-/m1/s1