N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C24H34N3O2S+ MolecularWeight: 428.61066

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)OC)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C24H33N3O2S/c1-3-27(24(28)19-30-23-9-12-25-13-10-23)18-21-7-5-14-26(17-21)15-11-20-6-4-8-22(16-20)29-2/h4,6,8-10,12-13,16,21H,3,5,7,11,14-15,17-19H2,1-2H3/p+1/t21-/m0/s1