1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzimidazol-1-ide

Systemtic Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzimidazol-1-ide Openeye Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzimidazol-1-ide CAS Name: 1-butyl-3-methylimidazol-3-ium; 5-nitrobenzimidazol-1-ide IUPAC Name: 1-butyl-3-methylimidazol-3-ium; 5-nitrobenzimidazol-1-ide Traditional Name: 1-butyl-3-methyl-imidazol-3-ium; 5-nitrobenzimidazol-1-ide Formula: C15H19N5O2 MolecularWeight: 301.34366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)C.C1=CC2=C(C=C1[N+](=O)[O-])N=C[N-]2

Isomeric SMILES

CCCCN1C=C[N+](=C1)C.C1=CC2=C(C=C1[N+](=O)[O-])N=C[N-]2

InChI

InChI=1S/C8H15N2.C7H4N3O2/c1-3-4-5-10-7-6-9(2)8-10;11-10(12)5-1-2-6-7(3-5)9-4-8-6/h6-8H,3-5H2,1-2H3;1-4H/q+1;-1