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

Systemtic Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C21H30N3O3S+ MolecularWeight: 404.5462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC2C(=O)NC3=CC=CC=C3S2)[NH+]4CCOCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)[NH+]4CCOCC4

InChI

InChI=1S/C21H29N3O3S/c25-19(14-18-20(26)23-16-6-2-3-7-17(16)28-18)22-15-21(8-4-1-5-9-21)24-10-12-27-13-11-24/h2-3,6-7,18H,1,4-5,8-15H2,(H,22,25)(H,23,26)/p+1/t18-/m0/s1