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

Systemtic Name: 1-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]-3-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]-3-[(2-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C22H27N6O2+ MolecularWeight: 407.48878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

Isomeric SMILES

CN1C=CN=C1[C@@H](C2=CC=CC=C2)NC(=O)NCC3=C([NH+]=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H26N6O2/c1-27-11-10-24-21(27)19(17-6-3-2-4-7-17)26-22(29)25-16-18-8-5-9-23-20(18)28-12-14-30-15-13-28/h2-11,19H,12-16H2,1H3,(H2,25,26,29)/p+1/t19-/m1/s1