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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(5-methylisoxazol-3-yl)methylthio]nicotinamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2S/c1-17-14-20(26-29-17)16-30-23-21(8-5-11-24-23)22(28)25-19-9-12-27(13-10-19)15-18-6-3-2-4-7-18/h2-8,11,14,19H,9-10,12-13,15-16H2,1H3,(H,25,28)/p+1