2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethyl-ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=COCCO3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3=COCCO3

InChI

InChI=1S/C19H25N3O3S2/c1-4-21(5-2)8-9-22(18(23)16-13-24-10-11-25-16)19-20-15-7-6-14(26-3)12-17(15)27-19/h6-7,12-13H,4-5,8-11H2,1-3H3/p+1