(2R)-6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-6-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2-methyl-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-6-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one CAS Name: (2R)-6-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-methyl-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-6-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one Formula: C22H25FN3O3S+ MolecularWeight: 430.515603

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H24FN3O3S/c1-14-21(27)24-18-12-16(4-6-20(18)30-14)22(28)26-9-7-25(8-10-26)13-15-3-5-19(29-2)17(23)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,24,27)/p+1/t14-/m1/s1