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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O2S/c1-2-3-11-20-19(25)22-17(24)13-23-12-7-6-9-15(23)18-21-14-8-4-5-10-16(14)26-18/h4-5,8,10,15H,2-3,6-7,9,11-13H2,1H3,(H2,20,22,24,25)/p+1/t15-/m1/s1