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

Systemtic Name: O1-methyl O4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl] ester Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-23-9-11-24(12-10-23)21-22-17-8-7-16(13-18(17)29-21)28-20(26)15-5-3-14(4-6-15)19(25)27-2/h3-8,13H,9-12H2,1-2H3/p+1