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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1=C[N+](=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1=C[N+](=C(C=C1)C2=CC(=CC(=C2C)F)C(=O)NC3CC3)[O-]

InChI

InChI=1S/C22H26FN3O3/c1-4-16(5-2)24-21(27)14-6-9-20(26(29)12-14)18-10-15(11-19(23)13(18)3)22(28)25-17-7-8-17/h6,9-12,16-17H,4-5,7-8H2,1-3H3,(H,24,27)(H,25,28)