(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-cyclopropyl-2-phenyl-3-pyrazolyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-cyclopropyl-2-phenylpyrazol-3-yl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-cyclopropyl-2-phenyl-pyrazol-3-yl)-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C25H28FN4O2+ MolecularWeight: 435.513823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5CC5)F

InChI

InChI=1S/C25H27FN4O2/c1-32-24-10-7-18(15-21(24)26)17-28-11-13-29(14-12-28)25(31)23-16-22(19-8-9-19)27-30(23)20-5-3-2-4-6-20/h2-7,10,15-16,19H,8-9,11-14,17H2,1H3/p+1