[4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(2-hydroxyethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(2-hydroxyethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(2-hydroxyethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)-3-pyrazolyl]methyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(2-hydroxyethyl)azanium Traditional Name: [4-carbethoxy-2-(3-fluorophenyl)pyrazol-3-yl]methyl-(2-hydroxyethyl)ammonium Formula: C15H19FN3O3+ MolecularWeight: 308.328063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CCO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)F)C[NH2+]CCO

InChI

InChI=1S/C15H18FN3O3/c1-2-22-15(21)13-9-18-19(14(13)10-17-6-7-20)12-5-3-4-11(16)8-12/h3-5,8-9,17,20H,2,6-7,10H2,1H3/p+1