3-[(3-nitro-4-pentoxy-phenyl)methyl]-1H-imidazol-3-ium

Systemtic Name: 3-[(3-nitro-4-pentoxy-phenyl)methyl]-1H-imidazol-3-ium Openeye Name: 3-[(3-nitro-4-pentoxy-phenyl)methyl]-1H-imidazol-3-ium CAS Name: 3-[(3-nitro-4-pentoxyphenyl)methyl]-1H-imidazol-3-ium IUPAC Name: 3-[(3-nitro-4-pentoxyphenyl)methyl]-1H-imidazol-3-ium Traditional Name: 3-(4-amoxy-3-nitro-benzyl)-1H-imidazol-3-ium Formula: C15H20N3O3+ MolecularWeight: 290.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C[N+]2=CNC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C[N+]2=CNC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O3/c1-2-3-4-9-21-15-6-5-13(10-14(15)18(19)20)11-17-8-7-16-12-17/h5-8,10,12H,2-4,9,11H2,1H3/p+1