2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-(4-methoxyphenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN4O2/c1-31-21-11-5-18(6-12-21)22-17-23(29(27-22)20-9-7-19(25)8-10-20)24(30)26-13-16-28-14-3-2-4-15-28/h5-12,17H,2-4,13-16H2,1H3,(H,26,30)/p+1