N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-[(2-fluorophenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-fluorobenzyl)piperazin-1-ium-1-yl]acetamide Formula: C25H29FN5O+ MolecularWeight: 434.529063

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4F)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4F)C5=CC=CC=C5

InChI

InChI=1S/C25H28FN5O/c26-22-9-5-4-6-20(22)17-29-12-14-30(15-13-29)18-25(32)27-24-16-23(19-10-11-19)28-31(24)21-7-2-1-3-8-21/h1-9,16,19H,10-15,17-18H2,(H,27,32)/p+1