[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic 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] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C21H21N4O2S2+ MolecularWeight: 425.54704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H20N4O2S2/c1-2-24-7-9-25(10-8-24)21-23-17-6-4-15(12-19(17)29-21)27-20(26)14-3-5-16-18(11-14)28-13-22-16/h3-6,11-13H,2,7-10H2,1H3/p+1