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

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(cyclopentylamino)-oxomethyl]acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide Formula: C20H27N4O2S+ MolecularWeight: 387.51898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+]([C@H](C1)C2=NC3=CC=CC=C3S2)CC(=O)NC(=O)NC4CCCC4

InChI

InChI=1S/C20H26N4O2S/c25-18(23-20(26)21-14-7-1-2-8-14)13-24-12-6-5-10-16(24)19-22-15-9-3-4-11-17(15)27-19/h3-4,9,11,14,16H,1-2,5-8,10,12-13H2,(H2,21,23,25,26)/p+1/t16-/m1/s1