3H-1,3-benzoxazol-2-ylidene-(3-propan-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium

Systemtic Name: 3H-1,3-benzoxazol-2-ylidene-(3-propan-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Openeye Name: 3H-1,3-benzoxazol-2-ylidene-(3-isopropyl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium CAS Name: 3H-1,3-benzoxazol-2-ylidene-(3-propan-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)ammonium IUPAC Name: 3H-1,3-benzoxazol-2-ylidene-(3-propan-2-yl-1,2,3,4-tetrahydro-1,3,5-triazin-3-ium-6-yl)azanium Traditional Name: 3H-1,3-benzoxazol-2-ylidene-(3-isopropyl-1,2,3,4-tetrahydro-s-triazin-3-ium-6-yl)ammonium Formula: C13H19N5O+2 MolecularWeight: 261.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CNC(=NC1)[NH+]=C2NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)[NH+]1CNC(=NC1)[NH+]=C2NC3=CC=CC=C3O2

InChI

InChI=1S/C13H17N5O/c1-9(2)18-7-14-12(15-8-18)17-13-16-10-5-3-4-6-11(10)19-13/h3-6,9H,7-8H2,1-2H3,(H2,14,15,16,17)/p+2