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

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-2-carboxylate Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-2-carboxylate CAS Name: 1,3-benzothiazole-2-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-2-carboxylate Traditional Name: 1,3-benzothiazole-2-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=NC5=CC=CC=C5S4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=NC5=CC=CC=C5S4

InChI

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