N-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[[4-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[4-(methylthio)benzyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C20H26N3OS+ MolecularWeight: 356.50494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CN=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3OS/c1-25-19-8-6-16(7-9-19)14-23-11-3-4-17(15-23)12-22-20(24)18-5-2-10-21-13-18/h2,5-10,13,17H,3-4,11-12,14-15H2,1H3,(H,22,24)/p+1/t17-/m1/s1