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

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic 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-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H19N4O2S+ MolecularWeight: 379.45546

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-23-8-10-24(11-9-23)20-22-17-7-6-16(12-18(17)27-20)26-19(25)15-4-2-14(13-21)3-5-15/h2-7,12H,8-11H2,1H3/p+1