2-(3-chlorophenyl)-5-(furan-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(3-chlorophenyl)-5-(2-furanyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-chlorophenyl)-5-(furan-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(3-chlorophenyl)-5-(2-furyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)C2=CC(=NN2C3=CC(=CC=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H23ClN4O2/c22-16-6-4-7-17(14-16)26-19(15-18(24-26)20-8-5-13-28-20)21(27)23-9-12-25-10-2-1-3-11-25/h4-8,13-15H,1-3,9-12H2,(H,23,27)/p+1