1,3,5-tris(3-azanyl-4-methyl-phenyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione

Systemtic Name: 1,3,5-tris(3-azanyl-4-methyl-phenyl)-2-oxidanylidene-1,2,3-triazinan-2-ium-4,6-dione Openeye Name: 1,3,5-tris(3-amino-4-methyl-phenyl)-2-oxo-triazinan-2-ium-4,6-dione CAS Name: 1,3,5-tris(3-amino-4-methylphenyl)-2-oxotriazinan-2-ium-4,6-dione IUPAC Name: 1,3,5-tris(3-amino-4-methylphenyl)-2-oxotriazinan-2-ium-4,6-dione Traditional Name: 1,3,5-tris(3-amino-4-methyl-phenyl)-2-keto-triazinan-2-ium-4,6-quinone Formula: C24H25N6O3+ MolecularWeight: 445.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=O)N([N+](=O)N(C2=O)C3=CC(=C(C=C3)C)N)C4=CC(=C(C=C4)C)N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2C(=O)N([N+](=O)N(C2=O)C3=CC(=C(C=C3)C)N)C4=CC(=C(C=C4)C)N)N

InChI

InChI=1S/C24H25N6O3/c1-13-4-7-16(10-19(13)25)22-23(31)28(17-8-5-14(2)20(26)11-17)30(33)29(24(22)32)18-9-6-15(3)21(27)12-18/h4-12,22H,25-27H2,1-3H3/q+1