[1-(3-fluorophenyl)pyrazol-4-yl]methyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: [1-(3-fluorophenyl)pyrazol-4-yl]methyl-[[(3S)-1-methyl-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: [1-(3-fluorophenyl)pyrazol-4-yl]methyl-[[(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidyl]methyl]ammonium CAS Name: [1-(3-fluorophenyl)-4-pyrazolyl]methyl-[[(3S)-3-hydroxy-1-methyl-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: [1-(3-fluorophenyl)pyrazol-4-yl]methyl-[[(3S)-3-hydroxy-1-methyl-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: [1-(3-fluorophenyl)pyrazol-4-yl]methyl-[[(3S)-3-hydroxy-2-keto-1-methyl-3-piperidyl]methyl]ammonium Formula: C17H22FN4O2+ MolecularWeight: 333.380583

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1=O)(C[NH2+]CC2=CN(N=C2)C3=CC(=CC=C3)F)O

Isomeric SMILES

CN1CCC[C@@](C1=O)(C[NH2+]CC2=CN(N=C2)C3=CC(=CC=C3)F)O

InChI

InChI=1S/C17H21FN4O2/c1-21-7-3-6-17(24,16(21)23)12-19-9-13-10-20-22(11-13)15-5-2-4-14(18)8-15/h2,4-5,8,10-11,19,24H,3,6-7,9,12H2,1H3/p+1/t17-/m0/s1