[1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-[(1R)-1-phenylbutyl]azanium

Systemtic Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-[(1R)-1-phenylbutyl]azanium Openeye Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-[(1R)-1-phenylbutyl]ammonium CAS Name: [1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolyl]methyl-[(1R)-1-phenylbutyl]ammonium IUPAC Name: [1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl-[(1R)-1-phenylbutyl]azanium Traditional Name: [1-(4-fluorophenyl)-3,5-dimethyl-pyrazol-4-yl]methyl-[(1R)-1-phenylbutyl]ammonium Formula: C22H27FN3+ MolecularWeight: 352.468283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=C(N(N=C2C)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3/c1-4-8-22(18-9-6-5-7-10-18)24-15-21-16(2)25-26(17(21)3)20-13-11-19(23)12-14-20/h5-7,9-14,22,24H,4,8,15H2,1-3H3/p+1/t22-/m1/s1