5-(furan-2-yl)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide

Systemtic Name: 5-(furan-2-yl)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-2-phenyl-N-[3-(1-piperidin-1-iumyl)propyl]-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-2-phenyl-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-3-carboxamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2/c27-22(23-12-8-15-25-13-5-2-6-14-25)20-17-19(21-11-7-16-28-21)24-26(20)18-9-3-1-4-10-18/h1,3-4,7,9-11,16-17H,2,5-6,8,12-15H2,(H,23,27)/p+1