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

Systemtic Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(3-chlorophenyl)-5-(2-furanyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-3-carboxamide Formula: C20H22ClN4O3+ MolecularWeight: 401.86668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O3/c21-15-3-1-4-16(13-15)25-18(14-17(23-25)19-5-2-10-28-19)20(26)22-6-7-24-8-11-27-12-9-24/h1-5,10,13-14H,6-9,11-12H2,(H,22,26)/p+1