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

Systemtic Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(1S)-1-phenylbutyl]urea Openeye Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(1S)-1-phenylbutyl]urea CAS Name: 1-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[(1S)-1-phenylbutyl]urea IUPAC Name: 1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[(1S)-1-phenylbutyl]urea Traditional Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(1S)-1-phenylbutyl]urea Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

CCC[C@@H](C1=CC=CC=C1)NC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C21H28N4O2/c1-2-7-19(17-8-4-3-5-9-17)24-21(26)23-16-18-10-6-11-22-20(18)25-12-14-27-15-13-25/h3-6,8-11,19H,2,7,12-16H2,1H3,(H2,23,24,26)/p+1/t19-/m0/s1