N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)-N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)CN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)CN2C(=O)CSC3=CC=CC=C32)[NH+]4CCCC4

InChI

InChI=1S/C23H27N3O3S/c1-29-20-10-4-2-8-17(20)19(25-12-6-7-13-25)14-24-22(27)15-26-18-9-3-5-11-21(18)30-16-23(26)28/h2-5,8-11,19H,6-7,12-16H2,1H3,(H,24,27)/p+1/t19-/m0/s1