N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)[O-])C(=O)NCCSCC2=CC=CO2

Isomeric SMILES

C1=CC(=C[N+](=C1)[O-])C(=O)NCCSCC2=CC=CO2

InChI

InChI=1S/C13H14N2O3S/c16-13(11-3-1-6-15(17)9-11)14-5-8-19-10-12-4-2-7-18-12/h1-4,6-7,9H,5,8,10H2,(H,14,16)