3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 3,4,5-trimethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-25-7-9-26(10-8-25)22-24-16-6-5-15(13-19(16)31-22)23-21(27)14-11-17(28-2)20(30-4)18(12-14)29-3/h5-6,11-13H,7-10H2,1-4H3,(H,23,27)/p+1