2-methylsulfanyl-1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-methylsulfanyl-1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(methylthio)-1-[(3R)-3-(1-phenethyl-4-piperidin-1-iumyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(methylthio)-1-[(3R)-3-(1-phenethylpiperidin-1-ium-4-yl)pyrrolidino]ethanone Formula: C20H31N2OS+ MolecularWeight: 347.53794

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H30N2OS/c1-24-16-20(23)22-14-10-19(15-22)18-8-12-21(13-9-18)11-7-17-5-3-2-4-6-17/h2-6,18-19H,7-16H2,1H3/p+1/t19-/m0/s1