N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C20H19N3O3/c1-14-6-3-7-15(2)18(14)26-20-16(8-4-10-21-20)12-22-19(24)17-9-5-11-23(25)13-17/h3-11,13H,12H2,1-2H3,(H,22,24)