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

Systemtic Name: [4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C26H35N4O+ MolecularWeight: 419.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C26H34N4O/c1-5-29(6-2)19-23-14-12-22(13-15-23)18-27-26(31)17-16-25-20(3)28-30(21(25)4)24-10-8-7-9-11-24/h7-15H,5-6,16-19H2,1-4H3,(H,27,31)/p+1