[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: [5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]ammonium CAS Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]methyl-[(2S)-2-hydroxypropyl]ammonium IUPAC Name: [5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]azanium Traditional Name: [5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methyl-[(2S)-2-hydroxypropyl]ammonium Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH2+]CC(C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C[NH2+]C[C@H](C)O)OC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C20H22FN3O2/c1-14(25)12-22-13-19-15(2)23-24(17-6-4-3-5-7-17)20(19)26-18-10-8-16(21)9-11-18/h3-11,14,22,25H,12-13H2,1-2H3/p+1/t14-/m0/s1