6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-[(2-fluorophenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one

Systemtic Name: 6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-2-[(2-fluorophenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Openeye Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-[(2-fluorophenyl)methylene]-4-methyl-1,4-benzothiazin-3-one CAS Name: 6-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-2-[(2-fluorophenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-[(2-fluorophenyl)methylidene]-4-methyl-1,4-benzothiazin-3-one Traditional Name: 6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-2-(2-fluorobenzylidene)-4-methyl-1,4-benzothiazin-3-one Formula: C27H31FN3O2S+ MolecularWeight: 480.617343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)SC(=CC5=CC=CC=C5F)C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)SC(=CC5=CC=CC=C5F)C1=O

InChI

InChI=1S/C27H30FN3O2S/c1-29-23-17-20(26(32)31-15-13-30(14-16-31)21-8-3-2-4-9-21)11-12-24(23)34-25(27(29)33)18-19-7-5-6-10-22(19)28/h5-7,10-12,17-18,21H,2-4,8-9,13-16H2,1H3/p+1