4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylidene]-1,4-benzothiazin-3-one

Systemtic Name: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylidene]-1,4-benzothiazin-3-one Openeye Name: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylene]-1,4-benzothiazin-3-one CAS Name: 4-[2-(4-cyclohexyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-1,4-benzothiazin-3-one IUPAC Name: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-1,4-benzothiazin-3-one Traditional Name: 4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-keto-ethyl]-2-(2-fluorobenzylidene)-1,4-benzothiazin-3-one Formula: C27H31FN3O2S+ MolecularWeight: 480.617343

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC=CC=C5F)C3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4SC(=CC5=CC=CC=C5F)C3=O

InChI

InChI=1S/C27H30FN3O2S/c28-22-11-5-4-8-20(22)18-25-27(33)31(23-12-6-7-13-24(23)34-25)19-26(32)30-16-14-29(15-17-30)21-9-2-1-3-10-21/h4-8,11-13,18,21H,1-3,9-10,14-17,19H2/p+1