N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)CNC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C15H14N2O4/c18-15(11-4-3-7-17(19)9-11)16-8-12-10-20-13-5-1-2-6-14(13)21-12/h1-7,9,12H,8,10H2,(H,16,18)/t12-/m0/s1