2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: 2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Openeye Name: 2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]ammonium CAS Name: 2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: 2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]azanium Traditional Name: 2-acetamidoethyl-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]ammonium Formula: C21H24FN4O2+ MolecularWeight: 383.439263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CN(N=C1C2=CC(=CC=C2)F)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23FN4O2/c1-15(27)24-11-10-23-13-17-14-26(19-6-8-20(28-2)9-7-19)25-21(17)16-4-3-5-18(22)12-16/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,24,27)/p+1