5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-phenyl-pyrazole-3-carboxamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O2/c23-18-8-6-17(7-9-18)20-16-21(27(25-20)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