2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H23ClN3O4S+ MolecularWeight: 448.94302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O4S/c1-24(2)8-9-25(20(26)13-4-6-15-17(12-13)29-11-10-28-15)21-23-18-16(27-3)7-5-14(22)19(18)30-21/h4-7,12H,8-11H2,1-3H3/p+1