2-[(3-chlorophenyl)methylidene]-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylene]-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylidene]-N-[3-(3-methyl-1-piperidin-1-iumyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methylidene]-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(3-chlorobenzylidene)-3-keto-N-[3-(3-methylpiperidin-1-ium-1-yl)propyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C25H29ClN3O2S+ MolecularWeight: 471.03466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

Isomeric SMILES

CC1CCC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

InChI

InChI=1S/C25H28ClN3O2S/c1-17-5-3-11-29(16-17)12-4-10-27-24(30)19-8-9-22-21(15-19)28-25(31)23(32-22)14-18-6-2-7-20(26)13-18/h2,6-9,13-15,17H,3-5,10-12,16H2,1H3,(H,27,30)(H,28,31)/p+1