1-[(2-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2-nitrobenzyl)-4-(2-pyridylmethyl)piperazin-4-ium Formula: C17H21N4O2+ MolecularWeight: 313.37424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O2/c22-21(23)17-7-2-1-5-15(17)13-19-9-11-20(12-10-19)14-16-6-3-4-8-18-16/h1-8H,9-14H2/p+1