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

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-6-keto-1H-pyridine-3-carboxamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CNC(=O)C=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)C3=CNC(=O)C=C3

InChI

InChI=1S/C16H20N4O2S/c21-14-6-5-12(9-17-14)15(22)19-16-18-13(11-23-16)10-20-7-3-1-2-4-8-20/h5-6,9,11H,1-4,7-8,10H2,(H,17,21)(H,18,19,22)/p+1