2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)ethanamide Openeye Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide CAS Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-(4,6-dimethoxy-2-pyrimidinyl)acetamide IUPAC Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Traditional Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(4,6-dimethoxypyrimidin-2-yl)acetamide Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+]2CCC[C@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C19H21N5O3S/c1-26-16-10-17(27-2)23-19(22-16)21-15(25)11-24-9-5-7-13(24)18-20-12-6-3-4-8-14(12)28-18/h3-4,6,8,10,13H,5,7,9,11H2,1-2H3,(H,21,22,23,25)/p+1/t13-/m0/s1