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

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]furan-2-carboxamide Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]furan-2-carboxamide CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[4-(1-piperidin-1-iumylmethyl)phenyl]-2-furancarboxamide IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]furan-2-carboxamide Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[4-(piperidin-1-ium-1-ylmethyl)phenyl]-2-furamide Formula: C23H28N5O4+ MolecularWeight: 438.49952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=CC=C(C=C3)C[NH+]4CCCCC4)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-16-22(28(30)31)17(2)27(25-16)15-20-10-11-21(32-20)23(29)24-19-8-6-18(7-9-19)14-26-12-4-3-5-13-26/h6-11H,3-5,12-15H2,1-2H3,(H,24,29)/p+1