5-[azanyl-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylidene]imidazol-4-amine

Systemtic Name: 5-[azanyl-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylidene]imidazol-4-amine Openeye Name: 5-[amino-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylene]imidazol-4-amine CAS Name: 5-[amino-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylidene]-4-imidazolamine IUPAC Name: 5-[amino-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylidene]imidazol-4-amine Traditional Name: [5-[amino-(2,2-diphenyl-1,3,2-oxazaborolidin-2-ium-3-yl)methylene]imidazol-4-yl]amine Formula: C18H19BN5O+ MolecularWeight: 332.18736

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Descriptors Computed from Structure

Canonical SMILES:

[B+]1(N(CCO1)C(=C2C(=NC=N2)N)N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

[B+]1(N(CCO1)C(=C2C(=NC=N2)N)N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C18H19BN5O/c20-17-16(22-13-23-17)18(21)24-11-12-25-19(24,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,13H,11-12,21H2,(H2,20,22,23)/q+1