3-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1-phenyl-pyrazole-4-carboxamide Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O2/c23-18-8-6-17(7-9-18)21-20(16-27(25-21)19-4-2-1-3-5-19)22(28)24-10-11-26-12-14-29-15-13-26/h1-9,16H,10-15H2,(H,24,28)/p+1