(4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]methanone

Systemtic Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-fluoranylphenoxy)methyl]-1H-pyrazol-3-yl]methanone Openeye Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]methanone CAS Name: (4-cyclohexyl-1-piperazin-4-iumyl)-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]methanone IUPAC Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]methanone Traditional Name: (4-cyclohexylpiperazin-4-ium-1-yl)-[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]methanone Formula: C21H28FN4O2+ MolecularWeight: 387.471023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

InChI

InChI=1S/C21H27FN4O2/c22-16-5-4-8-19(13-16)28-15-17-14-20(24-23-17)21(27)26-11-9-25(10-12-26)18-6-2-1-3-7-18/h4-5,8,13-14,18H,1-3,6-7,9-12,15H2,(H,23,24)/p+1