1-(4-fluorophenyl)-N-(1-methylpiperidin-1-ium-4-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-(1-methylpiperidin-1-ium-4-yl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-(1-methylpiperidin-1-ium-4-yl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-(1-methyl-4-piperidin-1-iumyl)-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-N-(1-methylpiperidin-1-ium-4-yl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-(1-methylpiperidin-1-ium-4-yl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H22FN4OS+ MolecularWeight: 385.478283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=NN(C(=C2)C3=CC=CS3)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=NN(C(=C2)C3=CC=CS3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H21FN4OS/c1-24-10-8-15(9-11-24)22-20(26)17-13-18(19-3-2-12-27-19)25(23-17)16-6-4-14(21)5-7-16/h2-7,12-13,15H,8-11H2,1H3,(H,22,26)/p+1