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

Systemtic Name: 2-methylsulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyridine-3-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: 2-(methylthio)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(methylthio)nicotinamide Formula: C19H24N3OS+ MolecularWeight: 342.47836

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3OS/c1-24-19-17(8-5-11-20-19)18(23)21-16-9-12-22(13-10-16)14-15-6-3-2-4-7-15/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,23)/p+1