1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(4-nitrophenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(4-nitrobenzyl)-1,4-diazepane-1,4-diium Formula: C13H21N3O2+2 MolecularWeight: 251.32474

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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2/c1-14-7-2-8-15(10-9-14)11-12-3-5-13(6-4-12)16(17)18/h3-6H,2,7-11H2,1H3/p+2