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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[(2R)-2-(4-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=C(C=C1)C(CNC(=O)CC2C(=O)NC3=CC=CC=C3S2)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)[NH+]4CCCC4

InChI

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