N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CO3

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C19H24N2O2S/c1-24-17-7-2-5-15(11-17)13-21-9-3-6-16(14-21)12-20-19(22)18-8-4-10-23-18/h2,4-5,7-8,10-11,16H,3,6,9,12-14H2,1H3,(H,20,22)/p+1/t16-/m1/s1