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

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-(2-pyridylsulfanyl)acetamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-(2-pyridinylthio)acetamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-ethyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-(2-pyridylthio)acetamide Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C24H33N3OS/c1-3-27(24(28)19-29-23-10-6-7-14-25-23)18-21-11-15-26(16-12-21)17-13-22-9-5-4-8-20(22)2/h4-10,14,21H,3,11-13,15-19H2,1-2H3/p+1