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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-N-[(1S)-1,2,2-trimethylpropyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[(2S)-3,3-dimethylbutan-2-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-1-oxido-N-[(1S)-1,2,2-trimethylpropyl]pyridin-1-ium-3-carboxamide Formula: C23H28FN3O3 MolecularWeight: 413.485123

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FN3O3/c1-13-18(10-16(11-19(13)24)22(29)26-17-7-8-17)20-9-6-15(12-27(20)30)21(28)25-14(2)23(3,4)5/h6,9-12,14,17H,7-8H2,1-5H3,(H,25,28)(H,26,29)/t14-/m0/s1