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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

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