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

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(4-methylsulfanyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-[4-(methylthio)-1,3-benzothiazol-2-yl]amino]ethyl-diethyl-ammonium Formula: C19H26N3O3S2+ MolecularWeight: 408.55804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=COCCO3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3=COCCO3

InChI

InChI=1S/C19H25N3O3S2/c1-4-21(5-2)9-10-22(18(23)14-13-24-11-12-25-14)19-20-17-15(26-3)7-6-8-16(17)27-19/h6-8,13H,4-5,9-12H2,1-3H3/p+1