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

Systemtic Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[2-(4-methyl-1-piperazin-4-iumyl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-benzothiazol-6-yl]-2,3-dihydro-1,4-benzodioxin-3-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)C4COC5=CC=CC=C5O4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)NC(=O)[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C21H22N4O3S/c1-24-8-10-25(11-9-24)21-23-15-7-6-14(12-19(15)29-21)22-20(26)18-13-27-16-4-2-3-5-17(16)28-18/h2-7,12,18H,8-11,13H2,1H3,(H,22,26)/p+1/t18-/m1/s1