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

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic 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] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H19N4O2S2+ MolecularWeight: 411.52046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S2/c1-23-6-8-24(9-7-23)20-22-16-5-3-14(11-18(16)28-20)26-19(25)13-2-4-15-17(10-13)27-12-21-15/h2-5,10-12H,6-9H2,1H3/p+1