2-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(methylthio)-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(methylthio)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]ethanone Formula: C13H25N2OS+ MolecularWeight: 257.4154

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)C[NH+]2CCCC2

Isomeric SMILES

CSCC(=O)N1CCC[C@@H](C1)C[NH+]2CCCC2

InChI

InChI=1S/C13H24N2OS/c1-17-11-13(16)15-8-4-5-12(10-15)9-14-6-2-3-7-14/h12H,2-11H2,1H3/p+1/t12-/m1/s1