1-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(2-nitrobenzyl)-1,4-diazepan-4-ium Formula: C12H18N3O2+ MolecularWeight: 236.29022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1C[NH2+]CCN(C1)CC2=CC=CC=C2[N+](=O)[O-]

InChI

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