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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)C2=C(C=NN2)C3=CC(=CC=C3)F

Isomeric SMILES

CCC[NH+]1CCC[C@@H](C1)C2=C(C=NN2)C3=CC(=CC=C3)F

InChI

InChI=1S/C17H22FN3/c1-2-8-21-9-4-6-14(12-21)17-16(11-19-20-17)13-5-3-7-15(18)10-13/h3,5,7,10-11,14H,2,4,6,8-9,12H2,1H3,(H,19,20)/p+1/t14-/m0/s1