5-(2-hydroxyethyloxymethyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 5-(2-hydroxyethyloxymethyl)-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: 5-(2-hydroxyethoxymethyl)-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: 5-(2-hydroxyethoxymethyl)-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: 5-(2-hydroxyethoxymethyl)-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: 5-(2-hydroxyethoxymethyl)-1-oxido-pyridin-1-ium-3-carboxamide Formula: C9H12N2O4 MolecularWeight: 212.20258

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[N+](C=C1COCCO)[O-])C(=O)N

Isomeric SMILES

C1=C(C=[N+](C=C1COCCO)[O-])C(=O)N

InChI

InChI=1S/C9H12N2O4/c10-9(13)8-3-7(4-11(14)5-8)6-15-2-1-12/h3-5,12H,1-2,6H2,(H2,10,13)