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

Systemtic Name: 2-[(2-chlorophenyl)methylidene]-4-methyl-6-(4-piperidin-1-ium-1-ylpiperidin-1-yl)carbonyl-1,4-benzothiazin-3-one Openeye Name: 2-[(2-chlorophenyl)methylene]-4-methyl-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-1,4-benzothiazin-3-one CAS Name: 2-[(2-chlorophenyl)methylidene]-4-methyl-6-[oxo-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methyl]-1,4-benzothiazin-3-one IUPAC Name: 2-[(2-chlorophenyl)methylidene]-4-methyl-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-1,4-benzothiazin-3-one Traditional Name: 2-(2-chlorobenzylidene)-4-methyl-6-(4-piperidin-1-ium-1-ylpiperidine-1-carbonyl)-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)N3CCC(CC3)[NH+]4CCCCC4)SC(=CC5=CC=CC=C5Cl)C1=O

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)N3CCC(CC3)[NH+]4CCCCC4)SC(=CC5=CC=CC=C5Cl)C1=O

InChI

InChI=1S/C27H30ClN3O2S/c1-29-23-17-20(26(32)31-15-11-21(12-16-31)30-13-5-2-6-14-30)9-10-24(23)34-25(27(29)33)18-19-7-3-4-8-22(19)28/h3-4,7-10,17-18,21H,2,5-6,11-16H2,1H3/p+1