[(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium

Systemtic Name: [(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium Openeye Name: [(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium CAS Name: [(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium IUPAC Name: [(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]azanium Traditional Name: [(2S)-2-ethylhexyl]-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]ammonium Formula: C18H27FN3+ MolecularWeight: 304.425483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=C(NN=C1)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3/c1-3-5-6-14(4-2)11-20-12-16-13-21-22-18(16)15-7-9-17(19)10-8-15/h7-10,13-14,20H,3-6,11-12H2,1-2H3,(H,21,22)/p+1/t14-/m0/s1