methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H22N3O5S+ MolecularWeight: 404.46008

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C19H21N3O5S/c1-21(10-18(23)20-16-5-3-4-6-17(16)28-2)9-13-7-15(22(24)25)8-14-11-26-12-27-19(13)14/h3-8H,9-12H2,1-2H3,(H,20,23)/p+1