2-azanyl-6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-azanyl-6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-amino-6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridin-1-ium-3-carboxamide CAS Name: 2-amino-6-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-amino-6-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridin-1-ium-3-carboxamide Traditional Name: 2-amino-5-cyano-6-[[2-keto-2-(piperonylamino)ethyl]thio]-N-phenyl-pyridin-1-ium-3-carboxamide Formula: C23H20N5O4S+ MolecularWeight: 462.501

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=[NH+]C(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CSC3=[NH+]C(=C(C=C3C#N)C(=O)NC4=CC=CC=C4)N

InChI

InChI=1S/C23H19N5O4S/c24-10-15-9-17(22(30)27-16-4-2-1-3-5-16)21(25)28-23(15)33-12-20(29)26-11-14-6-7-18-19(8-14)32-13-31-18/h1-9H,11-13H2,(H2,25,28)(H,26,29)(H,27,30)/p+1