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

Systemtic Name: 5-(furan-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-2-(3-nitrophenyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-2-(3-nitrophenyl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c27-21(22-9-12-24-10-2-1-3-11-24)19-15-18(20-8-5-13-30-20)23-25(19)16-6-4-7-17(14-16)26(28)29/h4-8,13-15H,1-3,9-12H2,(H,22,27)/p+1