2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide CAS Name: 2-(4-fluorophenyl)-5-(1-methyl-2-pyrrolyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 2-(4-fluorophenyl)-5-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Formula: C22H27FN5O2+ MolecularWeight: 412.480483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCCC[NH+]3CCOCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCCC[NH+]3CCOCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H26FN5O2/c1-26-10-2-4-20(26)19-16-21(28(25-19)18-7-5-17(23)6-8-18)22(29)24-9-3-11-27-12-14-30-15-13-27/h2,4-8,10,16H,3,9,11-15H2,1H3,(H,24,29)/p+1