2-oxidanyl-2-[1-(2-pyridin-4-ylethanethioyl)pyrrolidin-1-ium-1-yl]-N-(2-pyridin-2-ylethyl)ethanamide

Systemtic Name: 2-oxidanyl-2-[1-(2-pyridin-4-ylethanethioyl)pyrrolidin-1-ium-1-yl]-N-(2-pyridin-2-ylethyl)ethanamide Openeye Name: 2-hydroxy-2-[1-[2-(4-pyridyl)ethanethioyl]pyrrolidin-1-ium-1-yl]-N-[2-(2-pyridyl)ethyl]acetamide CAS Name: 2-hydroxy-N-[2-(2-pyridinyl)ethyl]-2-[1-(2-pyridin-4-yl-1-sulfanylideneethyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-hydroxy-2-[1-(2-pyridin-4-ylethanethioyl)pyrrolidin-1-ium-1-yl]-N-(2-pyridin-2-ylethyl)acetamide Traditional Name: 2-hydroxy-N-[2-(2-pyridyl)ethyl]-2-[1-[2-(4-pyridyl)thioacetyl]pyrrolidin-1-ium-1-yl]acetamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(C(=O)NCCC2=CC=CC=N2)O)C(=S)CC3=CC=NC=C3

Isomeric SMILES

C1CC[N+](C1)(C(C(=O)NCCC2=CC=CC=N2)O)C(=S)CC3=CC=NC=C3

InChI

InChI=1S/C20H24N4O2S/c25-19(23-12-8-17-5-1-2-9-22-17)20(26)24(13-3-4-14-24)18(27)15-16-6-10-21-11-7-16/h1-2,5-7,9-11,20,26H,3-4,8,12-15H2/p+1