N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(o-tolylsulfanyl)acetamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-[(2-methylphenyl)thio]acetamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(2-methylphenyl)sulfanylacetamide Traditional Name: N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(o-tolylthio)acetamide Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC(C2=CC=CO2)[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3

InChI

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