N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-2-(2-pyrimidylthio)acetamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CN(C[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2OC)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C22H30N4O2S/c1-25(21(27)17-29-22-23-11-6-12-24-22)15-18-7-5-13-26(16-18)14-10-19-8-3-4-9-20(19)28-2/h3-4,6,8-9,11-12,18H,5,7,10,13-17H2,1-2H3/p+1/t18-/m1/s1