5-chloranyl-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium

Systemtic Name: 5-chloranyl-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium Openeye Name: 5-chloro-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium CAS Name: 5-chloro-1,3-diethyl-2-methyl-6-nitrobenzimidazol-1-ium IUPAC Name: 5-chloro-1,3-diethyl-2-methyl-6-nitrobenzimidazol-1-ium Traditional Name: 5-chloro-1,3-diethyl-2-methyl-6-nitro-benzimidazol-1-ium Formula: C12H15ClN3O2+ MolecularWeight: 268.7194

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)[N+](=O)[O-])CC)C

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)[N+](=O)[O-])CC)C

InChI

InChI=1S/C12H15ClN3O2/c1-4-14-8(3)15(5-2)12-7-10(16(17)18)9(13)6-11(12)14/h6-7H,4-5H2,1-3H3/q+1