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

Systemtic Name: 5-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Openeye Name: 5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(2-furanyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-(3-nitrophenyl)-3-pyrazolecarboxamide IUPAC Name: 5-(furan-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: 5-(2-furyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C20H22N5O5+ MolecularWeight: 412.41918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c26-20(21-6-7-23-8-11-29-12-9-23)18-14-17(19-5-2-10-30-19)22-24(18)15-3-1-4-16(13-15)25(27)28/h1-5,10,13-14H,6-9,11-12H2,(H,21,26)/p+1