2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]amino]ethyl-dimethyl-ammonium Formula: C21H26FN4+ MolecularWeight: 353.456343

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4/c1-25(2)12-13-26(15-17-6-4-3-5-7-17)16-19-14-23-24-21(19)18-8-10-20(22)11-9-18/h3-11,14H,12-13,15-16H2,1-2H3,(H,23,24)/p+1