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

Systemtic Name: 2,5-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2,5-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 2,5-dimethoxy-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2,5-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2,5-dimethoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]benzamide Formula: C21H25N4O3S+ MolecularWeight: 413.5132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-24-8-10-25(11-9-24)21-23-17-6-4-14(12-19(17)29-21)22-20(26)16-13-15(27-2)5-7-18(16)28-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)/p+1