2-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-5-(2-thienyl)pyrazole-3-carboxamide Formula: C20H22FN4O2S+ MolecularWeight: 401.477683

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NN2C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C20H21FN4O2S/c21-15-3-5-16(6-4-15)25-18(14-17(23-25)19-2-1-13-28-19)20(26)22-7-8-24-9-11-27-12-10-24/h1-6,13-14H,7-12H2,(H,22,26)/p+1