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

Systemtic Name: [3-(3-fluoranyl-4-methoxy-phenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-yl-azanium Openeye Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium CAS Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-4-pyrazolyl]methyl-(2-hydroxyethyl)-propan-2-ylammonium IUPAC Name: [3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-propan-2-ylazanium Traditional Name: [3-(3-fluoro-4-methoxy-phenyl)-1-(o-tolyl)pyrazol-4-yl]methyl-(2-hydroxyethyl)-isopropyl-ammonium Formula: C23H29FN3O2+ MolecularWeight: 398.493663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+](CCO)C(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3)OC)F)C[NH+](CCO)C(C)C

InChI

InChI=1S/C23H28FN3O2/c1-16(2)26(11-12-28)14-19-15-27(21-8-6-5-7-17(21)3)25-23(19)18-9-10-22(29-4)20(24)13-18/h5-10,13,15-16,28H,11-12,14H2,1-4H3/p+1