2-methylsulfanyl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone

Systemtic Name: 2-methylsulfanyl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone Openeye Name: 2-methylsulfanyl-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone CAS Name: 2-(methylthio)-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]ethanone IUPAC Name: 2-methylsulfanyl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]ethanone Traditional Name: 2-(methylthio)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]ethanone Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(C1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

CSCC(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C18H27N3OS/c1-23-14-18(22)21-10-6-17(13-21)16-4-8-20(9-5-16)12-15-3-2-7-19-11-15/h2-3,7,11,16-17H,4-6,8-10,12-14H2,1H3/p+1/t17-/m0/s1