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

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyethanoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic 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] 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-22-9-11-23(12-10-22)20-21-17-8-7-16(13-18(17)27-20)26-19(24)14-25-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1