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

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-6-(4-cyclohexylpiperazin-4-ium-1-yl)carbonyl-4-methyl-1,4-benzothiazin-3-one Openeye Name: 2-[(3-chlorophenyl)methylene]-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-4-methyl-1,4-benzothiazin-3-one CAS Name: 2-[(3-chlorophenyl)methylidene]-6-[(4-cyclohexyl-1-piperazin-4-iumyl)-oxomethyl]-4-methyl-1,4-benzothiazin-3-one IUPAC Name: 2-[(3-chlorophenyl)methylidene]-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-4-methyl-1,4-benzothiazin-3-one Traditional Name: 2-(3-chlorobenzylidene)-6-(4-cyclohexylpiperazin-4-ium-1-carbonyl)-4-methyl-1,4-benzothiazin-3-one Formula: C27H31ClN3O2S+ MolecularWeight: 497.07194

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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=C5)Cl)C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)N3CC[NH+](CC3)C4CCCCC4)SC(=CC5=CC(=CC=C5)Cl)C1=O

InChI

InChI=1S/C27H30ClN3O2S/c1-29-23-18-20(26(32)31-14-12-30(13-15-31)22-8-3-2-4-9-22)10-11-24(23)34-25(27(29)33)17-19-6-5-7-21(28)16-19/h5-7,10-11,16-18,22H,2-4,8-9,12-15H2,1H3/p+1