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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(6-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(S1)C=C(C=C2)C)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)C)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

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