2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethylidene]-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethylidene]-4H-1,4-benzothiazin-3-one Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethylidene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethylidene]-4H-1,4-benzothiazin-3-one IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethylidene]-4H-1,4-benzothiazin-3-one Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C=C2C(=O)NC3=CC=CC=C3S2

InChI

InChI=1S/C16H19N3O2S/c1-2-18-7-9-19(10-8-18)15(20)11-14-16(21)17-12-5-3-4-6-13(12)22-14/h3-6,11H,2,7-10H2,1H3,(H,17,21)/p+1