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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C19H25N4OS+ MolecularWeight: 357.493

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H24N4OS/c1-19(2,13-20)22(3)17(24)12-23-10-8-14(9-11-23)18-21-15-6-4-5-7-16(15)25-18/h4-7,14H,8-12H2,1-3H3/p+1