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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-[(2S)-1-methoxypropan-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-[(2S)-1-methoxypropan-2-yl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[(2S)-1-methoxypropan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H24FN3O4 MolecularWeight: 401.431363

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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)COC)[O-])C(=O)NC3CC3)F

Isomeric SMILES

CC1=C(C=C(C=C1C2=[N+](C=C(C=C2)C(=O)N[C@@H](C)COC)[O-])C(=O)NC3CC3)F

InChI

InChI=1S/C21H24FN3O4/c1-12(11-29-3)23-20(26)14-4-7-19(25(28)10-14)17-8-15(9-18(22)13(17)2)21(27)24-16-5-6-16/h4,7-10,12,16H,5-6,11H2,1-3H3,(H,23,26)(H,24,27)/t12-/m0/s1