1-[(4-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-[(4-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-[(4-fluorophenyl)methyl]-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-fluorophenyl)methyl]-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-fluorobenzyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium Formula: C18H26FN4+ MolecularWeight: 317.424243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NN1C)C)C[NH+]2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H25FN4/c1-14-18(15(2)21(3)20-14)13-23-10-8-22(9-11-23)12-16-4-6-17(19)7-5-16/h4-7H,8-13H2,1-3H3/p+1