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

Systemtic Name: 2-[2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[2,3-dihydro-1,4-benzodioxine-6-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[2,3-dihydro-1,4-benzodioxin-6-carbonyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-23(2)8-9-24(21-22-16-6-5-15(26-3)13-19(16)29-21)20(25)14-4-7-17-18(12-14)28-11-10-27-17/h4-7,12-13H,8-11H2,1-3H3/p+1