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

Systemtic Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[1-[(2-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-N-(2-methoxyethyl)-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[1-[(2-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[1-(2-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-N-(2-methoxyethyl)-2-(4-pyridylthio)acetamide Formula: C23H31FN3O2S+ MolecularWeight: 432.574543

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1CC[NH+](CC1)CC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

Isomeric SMILES

COCCN(CC1CC[NH+](CC1)CC2=CC=CC=C2F)C(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C23H30FN3O2S/c1-29-15-14-27(23(28)18-30-21-6-10-25-11-7-21)16-19-8-12-26(13-9-19)17-20-4-2-3-5-22(20)24/h2-7,10-11,19H,8-9,12-18H2,1H3/p+1