[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-(phenylcarbonyl)benzoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic 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] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C26H24N3O3S+ MolecularWeight: 458.55206

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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(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O3S/c1-28-13-15-29(16-14-28)26-27-22-12-11-21(17-23(22)33-26)32-25(31)20-9-7-19(8-10-20)24(30)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3/p+1