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

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-[(2-ethylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-[(2-ethylphenyl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-[(2-ethylphenyl)methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[(2-ethylphenyl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-(2-ethylbenzyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C26H26FN3O3 MolecularWeight: 447.501343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CNC(=O)C2=C[N+](=C(C=C2)C3=CC(=CC(=C3C)F)C(=O)NC4CC4)[O-]

Isomeric SMILES

CCC1=CC=CC=C1CNC(=O)C2=C[N+](=C(C=C2)C3=CC(=CC(=C3C)F)C(=O)NC4CC4)[O-]

InChI

InChI=1S/C26H26FN3O3/c1-3-17-6-4-5-7-18(17)14-28-25(31)19-8-11-24(30(33)15-19)22-12-20(13-23(27)16(22)2)26(32)29-21-9-10-21/h4-8,11-13,15,21H,3,9-10,14H2,1-2H3,(H,28,31)(H,29,32)