N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide 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)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5

InChI

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