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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H27N3O3S/c1-4-25(5-2)11-12-26(23-24-21-16(3)7-6-8-20(21)30-23)22(27)17-9-10-18-19(15-17)29-14-13-28-18/h6-10,15H,4-5,11-14H2,1-3H3/p+1