N-cyclohexyl-2-oxidanyl-2-[1-[3-phenyl-2-(2-pyridin-4-ylethanethioylamino)propanoyl]pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-oxidanyl-2-[1-[3-phenyl-2-(2-pyridin-4-ylethanethioylamino)propanoyl]pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-hydroxy-2-[1-[3-phenyl-2-[[2-(4-pyridyl)ethanethioyl]amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-cyclohexyl-2-hydroxy-2-[1-[1-oxo-3-phenyl-2-[(2-pyridin-4-yl-1-sulfanylideneethyl)amino]propyl]-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-cyclohexyl-2-hydroxy-2-[1-[3-phenyl-2-[(2-pyridin-4-ylethanethioyl)amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-cyclohexyl-2-hydroxy-2-[1-[3-phenyl-2-[[2-(4-pyridyl)thioacetyl]amino]propanoyl]pyrrolidin-1-ium-1-yl]acetamide Formula: C28H37N4O3S+ MolecularWeight: 509.68338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=S)CC4=CC=NC=C4)O

Isomeric SMILES

C1CCC(CC1)NC(=O)C([N+]2(CCCC2)C(=O)C(CC3=CC=CC=C3)NC(=S)CC4=CC=NC=C4)O

InChI

InChI=1S/C28H36N4O3S/c33-26(30-23-11-5-2-6-12-23)28(35)32(17-7-8-18-32)27(34)24(19-21-9-3-1-4-10-21)31-25(36)20-22-13-15-29-16-14-22/h1,3-4,9-10,13-16,23-24,28,35H,2,5-8,11-12,17-20H2,(H-,30,31,33,36)/p+1