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

Systemtic Name: 3-methylsulfanyl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Openeye Name: 3-methylsulfanyl-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one CAS Name: 3-(methylthio)-1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-methylsulfanyl-1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(methylthio)-1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]propan-1-one Formula: C19H30N3OS+ MolecularWeight: 348.526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS/c1-24-12-7-19(23)22-11-6-18(15-22)17-4-9-21(10-5-17)14-16-3-2-8-20-13-16/h2-3,8,13,17-18H,4-7,9-12,14-15H2,1H3/p+1/t18-/m0/s1