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

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-bis(chloranyl)benzoate Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [2-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H20Cl2N3O2S+ MolecularWeight: 437.3627

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N3O2S/c1-2-24-7-9-25(10-8-24)20-23-17-6-4-14(12-18(17)28-20)27-19(26)15-5-3-13(21)11-16(15)22/h3-6,11-12H,2,7-10H2,1H3/p+1