[2-[2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl-dimethyl-azanium Openeye Name: [2-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-ethoxy]-5-pyrimidin-2-yl-phenyl]methyl-dimethyl-ammonium CAS Name: [2-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethoxy]-5-(2-pyrimidinyl)phenyl]methyl-dimethylammonium IUPAC Name: [2-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethoxy]-5-pyrimidin-2-ylphenyl]methyl-dimethylazanium Traditional Name: [2-[2-[2-(3-fluorophenyl)ethylamino]-2-keto-ethoxy]-5-(2-pyrimidyl)benzyl]-dimethyl-ammonium Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NCCC3=CC(=CC=C3)F

Isomeric SMILES

C[NH+](C)CC1=C(C=CC(=C1)C2=NC=CC=N2)OCC(=O)NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C23H25FN4O2/c1-28(2)15-19-14-18(23-26-10-4-11-27-23)7-8-21(19)30-16-22(29)25-12-9-17-5-3-6-20(24)13-17/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3,(H,25,29)/p+1