2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole

Systemtic Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole Openeye Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole CAS Name: 2-[(3-butyl-1-imidazol-1-iumyl)methyl]-4-nitro-1H-benzimidazole IUPAC Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole Traditional Name: 2-[(3-butylimidazol-1-ium-1-yl)methyl]-4-nitro-1H-benzimidazole Formula: C15H18N5O2+ MolecularWeight: 300.33572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)CC2=NC3=C(N2)C=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C15H18N5O2/c1-2-3-7-18-8-9-19(11-18)10-14-16-12-5-4-6-13(20(21)22)15(12)17-14/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,16,17)/q+1