3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-p-dioxin-5-carbonyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C19H26N3O5S+ MolecularWeight: 408.49184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=COCCO3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=COCCO3

InChI

InChI=1S/C19H25N3O5S/c1-21(2)8-5-9-22(18(23)15-12-26-10-11-27-15)19-20-16-13(24-3)6-7-14(25-4)17(16)28-19/h6-7,12H,5,8-11H2,1-4H3/p+1