(4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine

Systemtic Name: (4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Openeye Name: (4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine CAS Name: (4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine IUPAC Name: (4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-amine Traditional Name: [(4S)-4-(2-nitrophenyl)-4,10-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazol-5-ium-2-yl]amine Formula: C15H13N6O2+ MolecularWeight: 309.30272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2N=C(NC3=[N+]2C4=CC=CC=C4N3)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)[C@H]2N=C(NC3=[N+]2C4=CC=CC=C4N3)N)[N+](=O)[O-]

InChI

InChI=1S/C15H12N6O2/c16-14-18-13(9-5-1-3-7-11(9)21(22)23)20-12-8-4-2-6-10(12)17-15(20)19-14/h1-8,13H,(H3,16,17,18,19)/p+1/t13-/m0/s1