2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(tert-butylcarbamoyl)acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)C[NH+]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N4O2S/c1-19(2,3)22-18(25)21-16(24)12-23-11-7-6-9-14(23)17-20-13-8-4-5-10-15(13)26-17/h4-5,8,10,14H,6-7,9,11-12H2,1-3H3,(H2,21,22,24,25)/p+1/t14-/m1/s1