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

Systemtic Name: 3-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxin-5-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[1,3-benzothiazol-2-yl-[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[1,3-benzothiazol-2-yl(2,3-dihydro-1,4-dioxine-5-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[1,3-benzothiazol-2-yl(2,3-dihydro-p-dioxin-5-carbonyl)amino]propyl-dimethyl-ammonium Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-19(2)8-5-9-20(16(21)14-12-22-10-11-23-14)17-18-13-6-3-4-7-15(13)24-17/h3-4,6-7,12H,5,8-11H2,1-2H3/p+1