1-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[(2-fluorophenyl)methyl]piperidin-1-ium

Systemtic Name: 1-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[(2-fluorophenyl)methyl]piperidin-1-ium Openeye Name: 1-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[(2-fluorophenyl)methyl]piperidin-1-ium CAS Name: 1-[(1,5-dimethyl-3-pyrazolyl)methyl]-4-[(2-fluorophenyl)methyl]piperidin-1-ium IUPAC Name: 1-[(1,5-dimethylpyrazol-3-yl)methyl]-4-[(2-fluorophenyl)methyl]piperidin-1-ium Traditional Name: 1-[(1,5-dimethylpyrazol-3-yl)methyl]-4-(2-fluorobenzyl)piperidin-1-ium Formula: C18H25FN3+ MolecularWeight: 302.409603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C[NH+]2CCC(CC2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC(=NN1C)C[NH+]2CCC(CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C18H24FN3/c1-14-11-17(20-21(14)2)13-22-9-7-15(8-10-22)12-16-5-3-4-6-18(16)19/h3-6,11,15H,7-10,12-13H2,1-2H3/p+1