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

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

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=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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