2-[2-(4-chloranylphenoxy)ethanoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[2-(4-chloranylphenoxy)ethanoyl-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]-(4,7-dimethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O4S+ MolecularWeight: 450.9589

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC(=C2S1)OC)OC)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O4S/c1-24(2)11-12-25(18(26)13-29-15-7-5-14(22)6-8-15)21-23-19-16(27-3)9-10-17(28-4)20(19)30-21/h5-10H,11-13H2,1-4H3/p+1