6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-(2-methylbutan-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-(2-methylbutan-2-yl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-(1,1-dimethylpropyl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-(2-methylbutan-2-yl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2-methylbutan-2-yl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-tert-amyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H26FN3O3 MolecularWeight: 399.458543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=C[N+](=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3)[O-]

Isomeric SMILES

CCC(C)(C)NC(=O)C1=C[N+](=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3)[O-]

InChI

InChI=1S/C22H26FN3O3/c1-5-22(3,4)25-21(28)14-6-9-19(26(29)12-14)17-10-15(11-18(23)13(17)2)20(27)24-16-7-8-16/h6,9-12,16H,5,7-8H2,1-4H3,(H,24,27)(H,25,28)