2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyanocyclopentyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyanocyclopentyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(1-cyanocyclopentyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyanocyclopentyl)acetamide Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4OS/c21-14-20(9-3-4-10-20)23-18(25)13-24-11-7-15(8-12-24)19-22-16-5-1-2-6-17(16)26-19/h1-2,5-6,15H,3-4,7-13H2,(H,23,25)/p+1