1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C15H25N3O4+2 MolecularWeight: 311.3767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C15H23N3O4/c1-16-5-4-6-17(8-7-16)11-12-9-14(21-2)15(22-3)10-13(12)18(19)20/h9-10H,4-8,11H2,1-3H3/p+2