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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]acetamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]acetamide Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c1-24-6-8-25(9-7-24)21-23-16-4-3-15(12-19(16)29-21)22-20(26)11-14-2-5-17-18(10-14)28-13-27-17/h2-5,10,12H,6-9,11,13H2,1H3,(H,22,26)/p+1