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

Systemtic Name: N-tert-butyl-6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-tert-butyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-tert-butyl-6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-tert-butyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-tert-butyl-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H24FN3O3 MolecularWeight: 385.431963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C2=[N+](C=C(C=C2)C(=O)NC(C)(C)C)[O-])C(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=[N+](C=C(C=C2)C(=O)NC(C)(C)C)[O-])C(=O)NC3CC3)F

InChI

InChI=1S/C21H24FN3O3/c1-12-16(9-14(10-17(12)22)19(26)23-15-6-7-15)18-8-5-13(11-25(18)28)20(27)24-21(2,3)4/h5,8-11,15H,6-7H2,1-4H3,(H,23,26)(H,24,27)