(3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium Openeye Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium CAS Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium IUPAC Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-[(4-fluorophenyl)methyl]piperidin-1-ium Traditional Name: (3S)-3-(4-ethyl-1H-pyrazol-5-yl)-1-(4-fluorobenzyl)piperidin-1-ium Formula: C17H23FN3+ MolecularWeight: 288.383023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NN=C1)C2CCC[NH+](C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=C(NN=C1)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN3/c1-2-14-10-19-20-17(14)15-4-3-9-21(12-15)11-13-5-7-16(18)8-6-13/h5-8,10,15H,2-4,9,11-12H2,1H3,(H,19,20)/p+1/t15-/m0/s1