2-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)-1,3-benzoxazole bromide

Systemtic Name: 2-(2,3-diphenyl-1,3-dihydro-1,2,3,4-tetrazol-3-ium-5-yl)-1,3-benzoxazole bromide Openeye Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole bromide CAS Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole bromide IUPAC Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole bromide Traditional Name: 2-(2,3-diphenyl-1,3-dihydrotetrazol-3-ium-5-yl)-1,3-benzoxazole bromide Formula: C20H16BrN5O MolecularWeight: 422.27794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5O4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[NH+]2N=C(NN2C3=CC=CC=C3)C4=NC5=CC=CC=C5O4.[Br-]

InChI

InChI=1S/C20H15N5O.BrH/c1-3-9-15(10-4-1)24-22-19(23-25(24)16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)26-20;/h1-14H,(H,22,23);1H