2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(3,5-dimethylisoxazol-4-yl)methylthio]nicotinamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-17-22(18(2)30-27-17)16-31-24-21(9-6-12-25-24)23(29)26-20-10-13-28(14-11-20)15-19-7-4-3-5-8-19/h3-9,12,20H,10-11,13-16H2,1-2H3,(H,26,29)/p+1