1-(4-methoxy-2-nitro-phenyl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C18H22N5O5+ MolecularWeight: 388.39778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c1-27-14-3-4-15(16(10-14)23(25)26)21-18(24)20-12-13-2-5-17(19-11-13)22-6-8-28-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H2,20,21,24)/p+1