2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C[C@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c27-22(14-21-23(28)25-19-10-4-5-11-20(19)29-21)24-15-17-8-2-3-9-18(17)16-26-12-6-1-7-13-26/h2-5,8-11,21H,1,6-7,12-16H2,(H,24,27)(H,25,28)/p+1/t21-/m0/s1