5-(4-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole

Systemtic Name: 5-(4-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Openeye Name: 5-(4-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole CAS Name: 5-(4-fluorophenyl)-4-(1-pyrrolidin-1-iumylmethyl)-1H-pyrazole IUPAC Name: 5-(4-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Traditional Name: 5-(4-fluorophenyl)-4-(pyrrolidin-1-ium-1-ylmethyl)-1H-pyrazole Formula: C14H17FN3+ MolecularWeight: 246.303283

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H16FN3/c15-13-5-3-11(4-6-13)14-12(9-16-17-14)10-18-7-1-2-8-18/h3-6,9H,1-2,7-8,10H2,(H,16,17)/p+1