N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-benzamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-methylsulfanyl-benzamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(methylthio)benzamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-methylsulfanylbenzamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(methylthio)benzamide Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3

InChI

InChI=1S/C19H24N2O2S/c1-24-18-10-4-3-8-15(18)19(22)20-14-16(17-9-7-13-23-17)21-11-5-2-6-12-21/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3,(H,20,22)/p+1/t16-/m1/s1