1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium

Systemtic Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium Openeye Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium CAS Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium IUPAC Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium Traditional Name: 1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,4-diazepan-4-ium Formula: C13H18N3O4+ MolecularWeight: 280.29972

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C1C[NH2+]CCN(C1)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C13H17N3O4/c17-16(18)11-9-13-12(19-6-7-20-13)8-10(11)15-4-1-2-14-3-5-15/h8-9,14H,1-7H2/p+1