N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C16H26N3OS+ MolecularWeight: 308.46214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)CNC(=O)C2=CN=CC=C2

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)CNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H25N3OS/c1-21-10-4-9-19-8-3-5-14(13-19)11-18-16(20)15-6-2-7-17-12-15/h2,6-7,12,14H,3-5,8-11,13H2,1H3,(H,18,20)/p+1/t14-/m1/s1