1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium

Systemtic Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium Openeye Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium CAS Name: 1,3-diethyl-2-methyl-5-nitrobenzimidazol-1-ium IUPAC Name: 1,3-diethyl-2-methyl-5-nitrobenzimidazol-1-ium Traditional Name: 1,3-diethyl-2-methyl-5-nitro-benzimidazol-1-ium Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=C1C=C(C=C2)[N+](=O)[O-])CC)C

Isomeric SMILES

CCN1C(=[N+](C2=C1C=C(C=C2)[N+](=O)[O-])CC)C

InChI

InChI=1S/C12H16N3O2/c1-4-13-9(3)14(5-2)12-8-10(15(16)17)6-7-11(12)13/h6-8H,4-5H2,1-3H3/q+1