[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyethanoate

Systemtic Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyethanoate Openeye Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid [2-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)OC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S/c1-2-23-10-12-24(13-11-23)21-22-18-9-8-17(14-19(18)28-21)27-20(25)15-26-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3/p+1