1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]urea

Systemtic Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]urea Openeye Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea CAS Name: 1-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]urea IUPAC Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea Traditional Name: 1-[4-(2-ketopyrrolidino)benzyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)CNC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H27N5O3/c28-20-4-2-10-27(20)19-7-5-17(6-8-19)15-24-22(29)25-16-18-3-1-9-23-21(18)26-11-13-30-14-12-26/h1,3,5-9H,2,4,10-16H2,(H2,24,25,29)/p+1