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

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-[6-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-dimethyl-ammonium Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-19(2)6-7-20(16(21)14-11-22-8-9-23-14)17-18-13-5-4-12(24-3)10-15(13)25-17/h4-5,10-11H,6-9H2,1-3H3/p+1