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

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

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

InChI

InChI=1S/C22H26FN3O3/c1-12(2)14(4)24-21(27)15-5-8-20(26(29)11-15)18-9-16(10-19(23)13(18)3)22(28)25-17-6-7-17/h5,8-12,14,17H,6-7H2,1-4H3,(H,24,27)(H,25,28)/t14-/m1/s1