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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[NH+]1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H24N4O2S/c1-12(2)19-18(24)21-16(23)11-22-9-5-6-13(10-22)17-20-14-7-3-4-8-15(14)25-17/h3-4,7-8,12-13H,5-6,9-11H2,1-2H3,(H2,19,21,23,24)/p+1/t13-/m1/s1