[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic 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] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C17H17ClN3O2S2+ MolecularWeight: 394.91878

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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=CC=C(S4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C17H16ClN3O2S2/c1-20-6-8-21(9-7-20)17-19-12-3-2-11(10-14(12)25-17)23-16(22)13-4-5-15(18)24-13/h2-5,10H,6-9H2,1H3/p+1