[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-bis(chloranyl)benzoate

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-bis(chloranyl)benzoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C19H18Cl2N3O2S+ MolecularWeight: 423.33612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O2S/c1-23-6-8-24(9-7-23)19-22-16-5-3-13(11-17(16)27-19)26-18(25)14-4-2-12(20)10-15(14)21/h2-5,10-11H,6-9H2,1H3/p+1