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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=COCCO3

InChI

InChI=1S/C19H25N3O3S/c1-4-14-6-7-15-17(12-14)26-19(20-15)22(9-5-8-21(2)3)18(23)16-13-24-10-11-25-16/h6-7,12-13H,4-5,8-11H2,1-3H3/p+1