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

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-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] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C21H19ClN3O2S2+ MolecularWeight: 444.97746

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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=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C21H18ClN3O2S2/c1-24-8-10-25(11-9-24)21-23-15-7-6-13(12-17(15)29-21)27-20(26)19-18(22)14-4-2-3-5-16(14)28-19/h2-7,12H,8-11H2,1H3/p+1