2-(3-chlorophenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Openeye Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide CAS Name: 2-(3-chlorophenyl)-5-(2-furanyl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Traditional Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-3-carboxamide Formula: C21H24ClN4O3+ MolecularWeight: 415.89326

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H23ClN4O3/c22-16-4-1-5-17(14-16)26-19(15-18(24-26)20-6-2-11-29-20)21(27)23-7-3-8-25-9-12-28-13-10-25/h1-2,4-6,11,14-15H,3,7-10,12-13H2,(H,23,27)/p+1