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

Systemtic Name: 2-oxidanyl-2-[1-(2-pyridin-4-ylethanethioyl)pyrrolidin-1-ium-1-yl]-N-(1-pyridin-2-ylethyl)ethanamide Openeye Name: 2-hydroxy-2-[1-[2-(4-pyridyl)ethanethioyl]pyrrolidin-1-ium-1-yl]-N-[1-(2-pyridyl)ethyl]acetamide CAS Name: 2-hydroxy-N-[1-(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-(1-pyridin-2-ylethyl)acetamide Traditional Name: 2-hydroxy-N-[1-(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:

CC(C1=CC=CC=N1)NC(=O)C([N+]2(CCCC2)C(=S)CC3=CC=NC=C3)O

Isomeric SMILES

CC(C1=CC=CC=N1)NC(=O)C([N+]2(CCCC2)C(=S)CC3=CC=NC=C3)O

InChI

InChI=1S/C20H24N4O2S/c1-15(17-6-2-3-9-22-17)23-19(25)20(26)24(12-4-5-13-24)18(27)14-16-7-10-21-11-8-16/h2-3,6-11,15,20,26H,4-5,12-14H2,1H3/p+1