N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-piperonyl-acetamide Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H14N2O4S/c18-14(9-22-15-3-1-2-6-17(15)19)16-8-11-4-5-12-13(7-11)21-10-20-12/h1-7H,8-10H2,(H,16,18)