5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)furan-2-carboxamide

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)furan-2-carboxamide Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)furan-2-carboxamide CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(2-pyridin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)furan-2-carboxamide Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-2-ylmethyl)-2-furamide Formula: C17H18N5O4+ MolecularWeight: 356.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=CC=[NH+]3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=CC=CC=[NH+]3)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-11-16(22(24)25)12(2)21(20-11)10-14-6-7-15(26-14)17(23)19-9-13-5-3-4-8-18-13/h3-8H,9-10H2,1-2H3,(H,19,23)/p+1