N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[6-(2,5-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=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

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