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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C19H22ClN2O3S+ MolecularWeight: 393.90758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3S/c1-22(10-18(23)21-16-5-3-4-6-17(16)26-2)9-13-7-15(20)8-14-11-24-12-25-19(13)14/h3-8H,9-12H2,1-2H3,(H,21,23)/p+1