[2-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C24H31N4O+ MolecularWeight: 391.52914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CCC(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C24H30N4O/c1-18-23(19(2)28(26-18)22-12-6-5-7-13-22)14-15-24(29)25-16-20-10-8-9-11-21(20)17-27(3)4/h5-13H,14-17H2,1-4H3,(H,25,29)/p+1