2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-ylcarbonyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-ylcarbonyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-[2-furanyl(oxo)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(furan-2-carbonyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4,7-dimethoxy-1,3-benzothiazol-2-yl)-(2-furoyl)amino]ethyl-diethyl-ammonium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=CO3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)C3=CC=CO3

InChI

InChI=1S/C20H25N3O4S/c1-5-22(6-2)11-12-23(19(24)16-8-7-13-27-16)20-21-17-14(25-3)9-10-15(26-4)18(17)28-20/h7-10,13H,5-6,11-12H2,1-4H3/p+1