(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[(2-methoxy-5-nitro-phenyl)methylidene]azanium

Systemtic Name: (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[(2-methoxy-5-nitro-phenyl)methylidene]azanium Openeye Name: (4,6-dimorpholino-1,3,5-triazin-2-yl)-[(2-methoxy-5-nitro-phenyl)methylene]ammonium CAS Name: [4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-[(2-methoxy-5-nitrophenyl)methylidene]ammonium IUPAC Name: (4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-[(2-methoxy-5-nitrophenyl)methylidene]azanium Traditional Name: (4,6-dimorpholino-s-triazin-2-yl)-(2-methoxy-5-nitro-benzylidene)ammonium Formula: C19H24N7O5+ MolecularWeight: 430.43776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=[NH+]C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C=[NH+]C2=NC(=NC(=N2)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C19H23N7O5/c1-29-16-3-2-15(26(27)28)12-14(16)13-20-17-21-18(24-4-8-30-9-5-24)23-19(22-17)25-6-10-31-11-7-25/h2-3,12-13H,4-11H2,1H3/p+1