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

Systemtic Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-[(5-methylisoxazol-3-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]nicotinamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2S/c1-18-14-21(27-30-18)17-31-24-22(6-5-11-25-24)23(29)26-15-19-7-9-20(10-8-19)16-28-12-3-2-4-13-28/h5-11,14H,2-4,12-13,15-17H2,1H3,(H,26,29)/p+1