2-[(2-chlorophenyl)methylidene]-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 2-[(2-chlorophenyl)methylidene]-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(2-chlorophenyl)methylene]-4H-1,4-benzothiazin-3-one CAS Name: 2-[(2-chlorophenyl)methylidene]-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-[(2-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(2-chlorobenzylidene)-4H-1,4-benzothiazin-3-one Formula: C27H25ClN3O2S+ MolecularWeight: 491.0243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5Cl)C(=O)N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)SC(=CC5=CC=CC=C5Cl)C(=O)N4

InChI

InChI=1S/C27H24ClN3O2S/c28-22-9-5-4-8-20(22)17-25-26(32)29-23-16-21(10-11-24(23)34-25)27(33)31-14-12-30(13-15-31)18-19-6-2-1-3-7-19/h1-11,16-17H,12-15,18H2,(H,29,32)/p+1