2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-2-9-18-17(23)20-15(22)11-21-10-5-7-13(21)16-19-12-6-3-4-8-14(12)24-16/h3-4,6,8,13H,2,5,7,9-11H2,1H3,(H2,18,20,22,23)/p+1/t13-/m1/s1