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

Systemtic Name: 5-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Openeye Name: 5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide CAS Name: 5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-N-(3-pyridin-1-iumylmethyl)-2-furancarboxamide IUPAC Name: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide Traditional Name: 5-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-N-(pyridin-1-ium-3-ylmethyl)-2-furamide Formula: C17H18ClN4O2+ MolecularWeight: 345.80342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NCC3=C[NH+]=CC=C3)C)Cl

InChI

InChI=1S/C17H17ClN4O2/c1-11-16(18)12(2)22(21-11)10-14-5-6-15(24-14)17(23)20-9-13-4-3-7-19-8-13/h3-8H,9-10H2,1-2H3,(H,20,23)/p+1