3-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)-1-piperidyl]propan-1-one CAS Name: 3-(methylthio)-1-[(3S)-3-(1-pyrrolidin-1-iumylmethyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[(3S)-3-(pyrrolidin-1-ium-1-ylmethyl)piperidino]propan-1-one Formula: C14H27N2OS+ MolecularWeight: 271.44198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N2OS/c1-18-10-6-14(17)16-9-4-5-13(12-16)11-15-7-2-3-8-15/h13H,2-12H2,1H3/p+1/t13-/m1/s1