2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol

Systemtic Name: 2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol Openeye Name: 2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol CAS Name: 2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol IUPAC Name: 2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol Traditional Name: 2-[1-(4-nitrophenyl)-3,5-diphenyl-1,2,4-triazol-4-ium-4-yl]ethanol Formula: C22H19N4O3+ MolecularWeight: 387.41126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C(=[N+]2CCO)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C(=[N+]2CCO)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N4O3/c27-16-15-24-21(17-7-3-1-4-8-17)23-25(22(24)18-9-5-2-6-10-18)19-11-13-20(14-12-19)26(28)29/h1-14,27H,15-16H2/q+1