4-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium

Systemtic Name: 4-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Openeye Name: 4-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium CAS Name: 4-[(2-fluorophenyl)methyl]-1-[(1-methyl-4-pyrazolyl)methyl]piperidin-1-ium IUPAC Name: 4-[(2-fluorophenyl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Traditional Name: 4-(2-fluorobenzyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium Formula: C17H23FN3+ MolecularWeight: 288.383023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H22FN3/c1-20-12-15(11-19-20)13-21-8-6-14(7-9-21)10-16-4-2-3-5-17(16)18/h2-5,11-12,14H,6-10,13H2,1H3/p+1