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

Systemtic Name: [2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [2-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [2-[[[2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoethyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [2-[[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]amino]methyl]phenyl]methyl-diethylazanium Traditional Name: [2-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetyl]amino]methyl]benzyl]-diethyl-ammonium Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C25H32N4O/c1-5-28(6-2)18-22-13-11-10-12-21(22)17-26-25(30)16-24-19(3)27-29(20(24)4)23-14-8-7-9-15-23/h7-15H,5-6,16-18H2,1-4H3,(H,26,30)/p+1