1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride

Systemtic Name: 1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride Openeye Name: 1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride CAS Name: 1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride IUPAC Name: 1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride Traditional Name: 1,2-diphenyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-8-ium chloride Formula: C18H17ClN2O MolecularWeight: 312.79338

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2=C(C=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC1.[Cl-]

Isomeric SMILES

C1C[N+]2=C(C=C(N2C3=CC=CC=C3)C4=CC=CC=C4)OC1.[Cl-]

InChI

InChI=1S/C18H17N2O.ClH/c1-3-8-15(9-4-1)17-14-18-19(12-7-13-21-18)20(17)16-10-5-2-6-11-16;/h1-6,8-11,14H,7,12-13H2;1H/q+1;/p-1