2-methylsulfanyl-1-[4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(CC1)C2CC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CSCC(=O)N1CCC(CC1)[C@H]2CC[NH+](C2)CCC3=CC=CC=C3

InChI

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