1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzotriazol-2-ide

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzotriazol-2-ide Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzotriazol-2-ide CAS Name: 1-butyl-3-methylimidazol-3-ium; 5-nitrobenzotriazol-2-ide IUPAC Name: 1-butyl-3-methylimidazol-3-ium; 5-nitrobenzotriazol-2-ide Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzotriazol-2-ide Formula: C14H18N6O2 MolecularWeight: 302.33172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.C1=CC2=N[N-]N=C2C=C1[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.C1=CC2=N[N-]N=C2C=C1[N+](=O)[O-]

InChI

InChI=1S/C8H15N2.C6H3N4O2/c1-3-4-5-10-7-6-9(2)8-10;11-10(12)4-1-2-5-6(3-4)8-9-7-5/h6-8H,3-5H2,1-2H3;1-3H/q+1;-1