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

Systemtic Name: 2-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl(2,3-dihydro-p-dioxin-5-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C16H20N3O3S+ MolecularWeight: 334.4133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-18(2)7-8-19(15(20)13-11-21-9-10-22-13)16-17-12-5-3-4-6-14(12)23-16/h3-6,11H,7-10H2,1-2H3/p+1