2-[6-(4-ethoxyphenyl)-1-oxidanidyl-pyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]ethanamide

Systemtic Name: 2-[6-(4-ethoxyphenyl)-1-oxidanidyl-pyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]ethanamide Openeye Name: 2-[6-(4-ethoxyphenyl)-1-oxido-pyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]acetamide CAS Name: 2-[6-(4-ethoxyphenyl)-1-oxido-3-pyridin-1-iumyl]-N-[(3-fluorophenyl)methyl]acetamide IUPAC Name: 2-[6-(4-ethoxyphenyl)-1-oxidopyridin-1-ium-3-yl]-N-[(3-fluorophenyl)methyl]acetamide Traditional Name: N-(3-fluorobenzyl)-2-(1-oxido-6-p-phenetyl-pyridin-1-ium-3-yl)acetamide Formula: C22H21FN2O3 MolecularWeight: 380.412143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=[N+](C=C(C=C2)CC(=O)NCC3=CC(=CC=C3)F)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=[N+](C=C(C=C2)CC(=O)NCC3=CC(=CC=C3)F)[O-]

InChI

InChI=1S/C22H21FN2O3/c1-2-28-20-9-7-18(8-10-20)21-11-6-17(15-25(21)27)13-22(26)24-14-16-4-3-5-19(23)12-16/h3-12,15H,2,13-14H2,1H3,(H,24,26)