[(6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-oxidanylidene-1,3-diazinan-5-ylidene]-(3-nitrophenyl)azanium

Systemtic Name: [(6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-oxidanylidene-1,3-diazinan-5-ylidene]-(3-nitrophenyl)azanium Openeye Name: [(6S)-4-methyl-6-(4-morpholinophenyl)-2-oxo-hexahydropyrimidin-5-ylidene]-(3-nitrophenyl)ammonium CAS Name: [(6S)-4-methyl-6-[4-(4-morpholinyl)phenyl]-2-oxo-1,3-diazinan-5-ylidene]-(3-nitrophenyl)ammonium IUPAC Name: [(6S)-4-methyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1,3-diazinan-5-ylidene]-(3-nitrophenyl)azanium Traditional Name: [(6S)-2-keto-4-methyl-6-(4-morpholinophenyl)hexahydropyrimidin-5-ylidene]-(3-nitrophenyl)ammonium Formula: C21H24N5O4+ MolecularWeight: 410.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=[NH+]C2=CC(=CC=C2)[N+](=O)[O-])C(NC(=O)N1)C3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1C(=[NH+]C2=CC(=CC=C2)[N+](=O)[O-])[C@@H](NC(=O)N1)C3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H23N5O4/c1-14-19(23-16-3-2-4-18(13-16)26(28)29)20(24-21(27)22-14)15-5-7-17(8-6-15)25-9-11-30-12-10-25/h2-8,13-14,20H,9-12H2,1H3,(H2,22,24,27)/p+1/t14?,20-/m0/s1