2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide Formula: C20H20N5O3S+ MolecularWeight: 410.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C20H19N5O3S/c1-2-25(11-13-3-4-16-17(7-13)28-6-5-27-16)18(26)12-29-20-15(10-22)8-14(9-21)19(23)24-20/h3-4,7-8H,2,5-6,11-12H2,1H3,(H2,23,24)/p+1