2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethylidene]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethylidene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethylidene]-4H-1,4-benzothiazin-3-one Formula: C22H22N3O4S+ MolecularWeight: 424.49278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C=C4C(=O)NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C=C4C(=O)NC5=CC=CC=C5S4

InChI

InChI=1S/C22H21N3O4S/c26-21(12-20-22(27)23-16-3-1-2-4-19(16)30-20)25-9-7-24(8-10-25)13-15-5-6-17-18(11-15)29-14-28-17/h1-6,11-12H,7-10,13-14H2,(H,23,27)/p+1