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

Systemtic Name: 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(1S)-1-(o-tolyl)ethyl]urea CAS Name: 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(1S)-1-(2-methylphenyl)ethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(2-morpholinopyridin-1-ium-3-yl)methyl]-3-[(1S)-1-(o-tolyl)ethyl]urea Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1[C@H](C)NC(=O)NCC2=C([NH+]=CC=C2)N3CCOCC3

InChI

InChI=1S/C20H26N4O2/c1-15-6-3-4-8-18(15)16(2)23-20(25)22-14-17-7-5-9-21-19(17)24-10-12-26-13-11-24/h3-9,16H,10-14H2,1-2H3,(H2,22,23,25)/p+1/t16-/m0/s1