N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(methylthio)nicotinamide Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C18H23N3O2S/c1-24-18-14(7-5-9-19-18)17(22)20-13-15(16-8-6-12-23-16)21-10-3-2-4-11-21/h5-9,12,15H,2-4,10-11,13H2,1H3,(H,20,22)/p+1/t15-/m1/s1