6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-[(3,4-dimethylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoranyl-2-methyl-phenyl]-N-[(3,4-dimethylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-[(3,4-dimethylphenyl)methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-[(3,4-dimethylphenyl)methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-[(3,4-dimethylphenyl)methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methyl-phenyl]-N-(3,4-dimethylbenzyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C26H26FN3O3 MolecularWeight: 447.501343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=C(C=C2)C3=CC(=CC(=C3C)F)C(=O)NC4CC4)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=C[N+](=C(C=C2)C3=CC(=CC(=C3C)F)C(=O)NC4CC4)[O-])C

InChI

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