1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(1S)-1-(benzofuran-2-yl)ethyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[(1S)-1-(2-benzofuranyl)ethyl]-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(1S)-1-(benzofuran-2-yl)ethyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2O1)NC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

C[C@@H](C1=CC2=CC=CC=C2O1)NC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C21H24N4O3/c1-15(19-13-16-5-2-3-7-18(16)28-19)24-21(26)23-14-17-6-4-8-22-20(17)25-9-11-27-12-10-25/h2-8,13,15H,9-12,14H2,1H3,(H2,23,24,26)/p+1/t15-/m0/s1