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

Systemtic Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-pyridin-2-ylsulfanyl-ethanamide Openeye Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-(2-pyridylsulfanyl)acetamide CAS Name: N-[[1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-2-(2-pyridinylthio)acetamide IUPAC Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide Traditional Name: N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-2-(2-pyridylthio)acetamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C23H31N3O2S/c1-25(23(27)18-29-22-5-3-4-13-24-22)17-20-11-15-26(16-12-20)14-10-19-6-8-21(28-2)9-7-19/h3-9,13,20H,10-12,14-18H2,1-2H3/p+1