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

Systemtic Name: 3-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[2,3-dihydro-1,4-dioxine-5-carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[2,3-dihydro-p-dioxin-5-carbonyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

InChI

InChI=1S/C19H25N3O3S/c1-13-10-15-17(11-14(13)2)26-19(20-15)22(7-5-6-21(3)4)18(23)16-12-24-8-9-25-16/h10-12H,5-9H2,1-4H3/p+1