2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide CAS Name: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)-3-pyridinecarboxamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)pyridine-3-carboxamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)nicotinamide Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=C(N=CC=C2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C22H26N4OS/c1-21(2)12-14(13-22(3,4)26-21)24-19(27)15-8-7-11-23-18(15)20-25-16-9-5-6-10-17(16)28-20/h5-11,14,26H,12-13H2,1-4H3,(H,24,27)/p+1