2-oxidanylidene-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide

Systemtic Name: 2-oxidanylidene-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Openeye Name: 2-oxo-N-[(4-phenylthiazol-2-yl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide CAS Name: 2-oxo-N-[(4-phenyl-2-thiazolyl)methyl]-6-(1-piperidin-1-iumylmethyl)-1H-pyridine-3-carboxamide IUPAC Name: 2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Traditional Name: 2-keto-N-[(4-phenylthiazol-2-yl)methyl]-6-(piperidin-1-ium-1-ylmethyl)-1H-pyridine-3-carboxamide Formula: C22H25N4O2S+ MolecularWeight: 409.5245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2S/c27-21(23-13-20-25-19(15-29-20)16-7-3-1-4-8-16)18-10-9-17(24-22(18)28)14-26-11-5-2-6-12-26/h1,3-4,7-10,15H,2,5-6,11-14H2,(H,23,27)(H,24,28)/p+1