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

Systemtic Name: 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C22H32N3O2S+ MolecularWeight: 402.57338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NC3=CC=CC=C3S2)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N3O2S/c26-20(15-19-21(27)24-17-9-3-4-10-18(17)28-19)23-16-22(11-5-1-6-12-22)25-13-7-2-8-14-25/h3-4,9-10,19H,1-2,5-8,11-16H2,(H,23,26)(H,24,27)/p+1/t19-/m0/s1