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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-(2-methylpropyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-isobutyl-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2-methylpropyl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-isobutyl-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)NCC(C)C)[O-])C(=O)NC3CC3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN3O3/c1-12(2)10-23-20(26)14-4-7-19(25(28)11-14)17-8-15(9-18(22)13(17)3)21(27)24-16-5-6-16/h4,7-9,11-12,16H,5-6,10H2,1-3H3,(H,23,26)(H,24,27)