3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(6-nitro-1,3-benzodioxol-5-yl)methyl]ammonium Formula: C14H17N4O4+ MolecularWeight: 305.30918

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C[NH2+]CCCN3C=CN=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C[NH2+]CCCN3C=CN=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4/c19-18(20)12-7-14-13(21-10-22-14)6-11(12)8-15-2-1-4-17-5-3-16-9-17/h3,5-7,9,15H,1-2,4,8,10H2/p+1