1-[(3-nitrophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3-nitrophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(3-nitrobenzyl)-1,4-diazepan-1-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O2/c16-15(17)12-4-1-3-11(9-12)10-14-7-2-5-13-6-8-14/h1,3-4,9,13H,2,5-8,10H2/p+1