N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-keto-4H-1,4-benzothiazine-6-carboxamide Formula: C21H23ClN3O2S+ MolecularWeight: 416.94422

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC3=C(C=C2)SCC(=O)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O2S/c22-16-4-1-14(2-5-16)12-25-9-7-17(8-10-25)23-21(27)15-3-6-19-18(11-15)24-20(26)13-28-19/h1-6,11,17H,7-10,12-13H2,(H,23,27)(H,24,26)/p+1