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

Systemtic Name: 2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-(5-methyl-2-furanyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-(5-methylfuran-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-(5-methyl-2-furyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O2/c1-16-5-10-21(29-16)19-15-20(27(25-19)18-8-6-17(23)7-9-18)22(28)24-11-14-26-12-3-2-4-13-26/h5-10,15H,2-4,11-14H2,1H3,(H,24,28)/p+1