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

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-(4,5-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=COCCO3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2C)C)C(=O)C3=COCCO3

InChI

InChI=1S/C20H27N3O3S/c1-5-22(6-2)9-10-23(19(24)16-13-25-11-12-26-16)20-21-18-15(4)14(3)7-8-17(18)27-20/h7-8,13H,5-6,9-12H2,1-4H3/p+1