[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium

Systemtic Name: [3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium Openeye Name: [3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium CAS Name: [3-(3-fluorophenyl)-1-(3-methylphenyl)-4-pyrazolyl]methyl-(2-hydroxyethyl)-propan-2-ylammonium IUPAC Name: [3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-ylazanium Traditional Name: [3-(3-fluorophenyl)-1-(m-tolyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium Formula: C22H27FN3O+ MolecularWeight: 368.467683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+](CCO)C(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C(=N2)C3=CC(=CC=C3)F)C[NH+](CCO)C(C)C

InChI

InChI=1S/C22H26FN3O/c1-16(2)25(10-11-27)14-19-15-26(21-9-4-6-17(3)12-21)24-22(19)18-7-5-8-20(23)13-18/h4-9,12-13,15-16,27H,10-11,14H2,1-3H3/p+1