N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-cyclopentyl-3-pyrazolyl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-cyclopentylpyrazol-3-yl)-2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C22H31FN5O2+ MolecularWeight: 416.512243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC(=O)NC3=CC=NN3C4CCCC4)F

InChI

InChI=1S/C22H30FN5O2/c1-30-20-7-6-17(14-19(20)23)15-26-10-12-27(13-11-26)16-22(29)25-21-8-9-24-28(21)18-4-2-3-5-18/h6-9,14,18H,2-5,10-13,15-16H2,1H3,(H,25,29)/p+1