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

Systemtic Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chloranylphenoxy)ethanoate Openeye Name: [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 2-(4-chlorophenoxy)acetate CAS Name: 2-(4-chlorophenoxy)acetic 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-(4-chlorophenoxy)acetate Traditional Name: 2-(4-chlorophenoxy)acetic acid [2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C20H21ClN3O3S+ MolecularWeight: 418.91704

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-23-8-10-24(11-9-23)20-22-17-7-6-16(12-18(17)28-20)27-19(25)13-26-15-4-2-14(21)3-5-15/h2-7,12H,8-11,13H2,1H3/p+1