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

Systemtic Name: 2-[2,3-dihydro-1,4-dioxin-5-ylcarbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-dioxine-5-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-p-dioxin-5-carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C20H28N3O3S+ MolecularWeight: 390.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-4-15-7-8-16-18(13-15)27-20(21-16)23(10-9-22(5-2)6-3)19(24)17-14-25-11-12-26-17/h7-8,13-14H,4-6,9-12H2,1-3H3/p+1