N-tert-butyl-1-oxidanylidene-5-phenyl-3-propan-2-yl-5,6-dihydro-1,2,3,4-tetrazine-1,3-diium-2-amine

Systemtic Name: N-tert-butyl-1-oxidanylidene-5-phenyl-3-propan-2-yl-5,6-dihydro-1,2,3,4-tetrazine-1,3-diium-2-amine Openeye Name: N-tert-butyl-3-isopropyl-1-oxo-5-phenyl-5,6-dihydrotetrazine-1,3-diium-2-amine CAS Name: N-tert-butyl-1-oxo-5-phenyl-3-propan-2-yl-5,6-dihydrotetrazine-1,3-diium-2-amine IUPAC Name: N-tert-butyl-1-oxo-5-phenyl-3-propan-2-yl-5,6-dihydrotetrazine-1,3-diium-2-amine Traditional Name: tert-butyl-(3-isopropyl-1-keto-5-phenyl-5,6-dihydrotetrazine-1,3-diium-2-yl)amine Formula: C15H25N5O+2 MolecularWeight: 291.3919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=NC(C[N+](=O)N1NC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

CC(C)[N+]1=NC(C[N+](=O)N1NC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C15H25N5O/c1-12(2)19-16-14(13-9-7-6-8-10-13)11-18(21)20(19)17-15(3,4)5/h6-10,12,14,17H,11H2,1-5H3/q+2