7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium

Systemtic Name: 7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Openeye Name: 7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium CAS Name: 7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium IUPAC Name: 7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Traditional Name: 7-isocyano-4,4,5-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Formula: C17H18N4+2 MolecularWeight: 278.35162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1[N+](C[N+](=N2)C3=CC=CC=C3)(C)C)[N+]#[C-]

Isomeric SMILES

CC1=CC(=CC2=C1[N+](C[N+](=N2)C3=CC=CC=C3)(C)C)[N+]#[C-]

InChI

InChI=1S/C17H18N4/c1-13-10-14(18-2)11-16-17(13)21(3,4)12-20(19-16)15-8-6-5-7-9-15/h5-11H,12H2,1,3-4H3/q+2