O4-[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-(4-ethyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester O1-methyl ester IUPAC Name: 4-O-[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-(4-ethylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester O1-methyl ester Formula: C22H24N3O4S+ MolecularWeight: 426.50866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-3-24-10-12-25(13-11-24)22-23-18-9-8-17(14-19(18)30-22)29-21(27)16-6-4-15(5-7-16)20(26)28-2/h4-9,14H,3,10-13H2,1-2H3/p+1